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Table of Contents

Using This Manual ........................................................................................................................................ ix 1. Whats in This Manual .......................................................................................................................... ix 2. Whats in the Other Manuals ................................................................................................................ x 3. How to Use This Manual ....................................................................................................................... x 3.1. For the Beginner ......................................................................................................................... x 3.2. For the Experienced User ............................................................................................................ xi 4.Typographical Conventions Used in This Manual .................................................................................. xi 5. Contacting Technical Support ............................................................................................................. xi 1. Getting Started ....................................................................................................................................... 1 1.1. Introduction ..................................................................................................................................... 1 1.2. Program Structure ............................................................................................................................ 2 1.3. Overview of Using ANSYS POLYMAT .................................................................................................. 3 1.3.1. Planning Your ANSYS POLYMAT Analysis ................................................................................... 3 1.3.2. Steps for Fitting Material Parameters ........................................................................................ 4 1.4. Starting ANSYS POLYMAT .................................................................................................................. 4 1.5. Starting ANSYS POLYCURVE .............................................................................................................. 5 1.6. Sample Session ................................................................................................................................. 5 1.6.1. Problem Description ................................................................................................................ 5 1.6.2. Outline of Procedure ................................................................................................................ 6 1.6.3. Using the Non-Automatic Fitting Method ................................................................................. 6 1.6.3.1. Defining the Experimental Data ....................................................................................... 7 1.6.3.2. Specifying the Curves to be Calculated ............................................................................ 8 1.6.3.3. Defining Numerical Parameters ....................................................................................... 8 1.6.3.4. Defining the Type of Fluid Model ..................................................................................... 8 1.6.3.5. Fitting the Material Parameters ........................................................................................ 9 1.6.3.5.1. Finding the Value of K ............................................................................................. 9 1.6.3.5.1.1. Trying K=1 ..................................................................................................... 9 1.6.3.5.2. Trying Other Values of K ........................................................................................ 10 1.6.3.5.2.1. Finding the Value of n ................................................................................... 11 1.6.3.6. Saving the Parameters to a Material Data File ................................................................. 12 1.6.3.7. Saving the Experimental Data to a File ........................................................................... 12 1.6.3.8. Exiting from ANSYS POLYMAT ........................................................................................ 13 1.6.4. Using the Automatic Fitting Method ....................................................................................... 13 1.6.4.1. Defining the Type of Fluid Model ................................................................................... 13 1.6.4.2. Fixing the Values of Parameters to Remain Constant ....................................................... 13 1.6.4.3. Reading in the Experimental Data .................................................................................. 14 1.6.4.4. Drawing the Experimental Data Curve ............................................................................ 14 1.6.4.5. Limiting the Range of the Fitting Calculation .................................................................. 14 1.6.4.6. Specifying a Name for the Material Data File ................................................................... 15 1.6.4.7. Performing the Automatic Fitting ................................................................................... 15 2. User Interface ........................................................................................................................................ 17 2.1. POLYMAT GUI Components ............................................................................................................. 17 2.1.1. The Menu Bar ......................................................................................................................... 18 2.1.2. The Menu Buttons .................................................................................................................. 20 2.1.3. The Menu ............................................................................................................................... 21 2.1.4. The Chart Buttons .................................................................................................................. 21 2.1.5. The Chart Window .................................................................................................................. 22 2.1.6. The Curve Buttons .................................................................................................................. 22 2.1.7. The Curve List ........................................................................................................................ 23 2.1.8. The Curve Settings ................................................................................................................. 23

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ANSYS POLYMAT User's Guide 2.1.9. The Output Text Window ........................................................................................................ 24 2.2. POLYCURVE GUI Components ......................................................................................................... 24 3. Reading and Writing Files ..................................................................................................................... 27 3.1. Files Written or Read by ANSYS POLYMAT and ANSYS POLYCURVE .................................................... 27 3.2. Reading Experimental Data ............................................................................................................. 27 3.2.1. Reading Experimental Data Curves for the Non-Automatic Fitting Method .............................. 27 3.2.2. Reading Experimental Data Curves for the Automatic Fitting Method ...................................... 29 3.3. Saving Experimental Data ............................................................................................................... 30 3.4. Reading and Writing Material Data .................................................................................................. 31 3.5. Reading CAMPUS Material Property Files ......................................................................................... 31 4. Unit Systems .......................................................................................................................................... 33 4.1. Overview of Units ........................................................................................................................... 33 4.2. Converting to a New Unit System .................................................................................................... 33 4.3. Restrictions on Units ....................................................................................................................... 35 5. Fitting Material Parameters .................................................................................................................. 37 5.1. Introduction ................................................................................................................................... 37 5.2. Non-Automatic Fitting .................................................................................................................... 37 5.2.1. Steps for Non-Automatic Fitting ............................................................................................. 37 5.2.2. Specifying the Curves to be Calculated ................................................................................... 38 5.2.3. Defining Numerical Parameters .............................................................................................. 38 5.2.4. Selecting the Type of Fluid Model ........................................................................................... 40 5.2.5. Defining Initial Values for the Material Parameters ................................................................... 40 5.2.6. Performing the Fitting Analysis ............................................................................................... 41 5.3. Automatic Fitting ............................................................................................................................ 42 5.3.1. Steps for Automatic Fitting ..................................................................................................... 42 5.3.2. Selecting the Type of Fluid Model ........................................................................................... 42 5.3.3. Fixing Values for Selected Material Parameters ........................................................................ 43 5.3.4. Defining Numerical Parameters .............................................................................................. 44 5.3.5. Drawing the Experimental Curves ........................................................................................... 45 5.3.6. Specifying a Name for the Material Data File ........................................................................... 45 5.3.7. Performing the Automatic Fitting Analysis .............................................................................. 46 6. Material Data Parameters ..................................................................................................................... 47 6.1. Overview of Fluid Properties and Flow Characteristics ..................................................................... 47 6.2. Generalized Newtonian Flow ........................................................................................................... 49 6.2.1. Introduction ........................................................................................................................... 50 6.2.1.1. Equations ...................................................................................................................... 50 6.2.1.2. Inputs ........................................................................................................................... 50 6.2.2. Shear-Rate Dependence of Viscosity ....................................................................................... 50 6.2.2.1. Constant ....................................................................................................................... 50 6.2.2.2. Bird-Carreau Law ........................................................................................................... 51 6.2.2.3. Power Law ..................................................................................................................... 52 6.2.2.4. Bingham Law ................................................................................................................ 53 6.2.2.5. Modified Bingham Law .................................................................................................. 54 6.2.2.6. Herschel-Bulkley Law ..................................................................................................... 55 6.2.2.7. Modified Herschel-Bulkley Law ...................................................................................... 56 6.2.2.8. Cross Law ...................................................................................................................... 58 6.2.2.9. Modified Cross Law ....................................................................................................... 58 6.2.2.10. Log-Log Law ................................................................................................................ 59 6.2.2.11. Carreau-Yasuda Law .................................................................................................... 61 6.2.3. Temperature Dependence of Viscosity .................................................................................... 62 6.2.3.1. Arrhenius Law ............................................................................................................... 63 6.2.3.2. Approximate Arrhenius Law ........................................................................................... 64

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ANSYS POLYMAT User's Guide 6.2.3.3. Arrhenius Shear-Stress Law ............................................................................................ 65 6.2.3.4. Approximate Arrhenius Shear-Stress Law ....................................................................... 66 6.2.3.5. Fulcher Law ................................................................................................................... 66 6.2.3.6. WLF Law ........................................................................................................................ 70 6.2.3.7. WLF Shear-Stress Law .................................................................................................... 72 6.2.3.8. Mixed-Dependence Law ................................................................................................ 73 6.3. Differential Viscoelastic Flow ........................................................................................................... 75 6.3.1. Introduction ........................................................................................................................... 75 6.3.1.1. Equations ...................................................................................................................... 75 6.3.1.2. Inputs ........................................................................................................................... 76 6.3.2. Differential Viscoelastic Models .............................................................................................. 77 6.3.2.1. Upper-Convected Maxwell Model .................................................................................. 78 6.3.2.1.1. Equations ............................................................................................................. 78 6.3.2.1.2. Inputs ................................................................................................................... 79 6.3.2.1.3. Behavior Analysis .................................................................................................. 79 6.3.2.2. Oldroyd-B Model ........................................................................................................... 81 6.3.2.2.1. Equations ............................................................................................................. 81 6.3.2.2.2. Inputs ................................................................................................................... 81 6.3.2.2.3. Behavior Analysis .................................................................................................. 82 6.3.2.3. White-Metzner Model .................................................................................................... 83 6.3.2.3.1. Equations ............................................................................................................. 83 6.3.2.3.2. Guidelines for Fitting ............................................................................................. 84 6.3.2.3.3. Inputs ................................................................................................................... 85 6.3.2.3.4. Behavior Analysis .................................................................................................. 85 6.3.2.4. Phan-Thien-Tanner Model .............................................................................................. 88 6.3.2.4.1. Equations ............................................................................................................. 88 6.3.2.4.2. Inputs ................................................................................................................... 88 6.3.2.4.3. Behavior Analysis .................................................................................................. 89 6.3.2.5. Giesekus Model ............................................................................................................. 94 6.3.2.5.1. Equations ............................................................................................................. 94 6.3.2.5.2. Inputs ................................................................................................................... 95 6.3.2.5.3. Behavior Analysis .................................................................................................. 95 6.3.2.6. FENE-P Model ................................................................................................................ 98 6.3.2.6.1. Equations ............................................................................................................. 98 6.3.2.6.2. Inputs ................................................................................................................... 99 6.3.2.6.3. Behavior Analysis ................................................................................................ 100 6.3.2.7. POM-POM Model [DCPP] ............................................................................................. 105 6.3.2.7.1. Inputs ................................................................................................................. 107 6.3.2.7.2. Behavior Analysis ................................................................................................ 107 6.3.2.8. Leonov Model ............................................................................................................. 110 6.3.2.8.1. Inputs ................................................................................................................. 113 6.3.2.8.2. Identification of Model Parameters and Functions ................................................ 113 6.3.2.8.3. Behavior Analysis ................................................................................................ 114 6.3.3. Temperature Dependence of Viscosity .................................................................................. 118 6.3.4. Multiple Relaxation Times for Differential Viscoelastic Flows .................................................. 118 6.4. Integral Viscoelastic Flow .............................................................................................................. 121 6.4.1. Introduction ......................................................................................................................... 121 6.4.1.1. Equations .................................................................................................................... 121 6.4.1.2. Inputs .......................................................................................................................... 122 6.4.2. Integral Viscoelastic Models .................................................................................................. 123 6.4.2.1. Doi-Edwards Model ..................................................................................................... 124 6.4.2.2. KBKZ Model ................................................................................................................. 125

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ANSYS POLYMAT User's Guide 6.4.2.3. Influence of Damping Functions and Their Parameters ................................................. 126 6.4.2.3.1. Oscillatory Shear Flow ......................................................................................... 126 6.4.2.3.2. Simple Shear Flow ............................................................................................... 127 6.4.2.3.3. Extensional Flow ................................................................................................. 128 6.4.2.3.4. Transient Shear Flow ........................................................................................... 132 6.4.3. Temperature Dependence of Viscosity .................................................................................. 135 6.5. Simplified Viscoelastic Model ........................................................................................................ 135 6.5.1. Equations ............................................................................................................................. 136 6.5.2. Identification of Model Parameters and Functions ................................................................. 137 6.5.3. Inputs .................................................................................................................................. 138 6.5.4. Behavior Analysis ................................................................................................................. 138 7. Rheological Properties ........................................................................................................................ 141 7.1. Steady Simple Shear Flow ............................................................................................................. 141 7.2. Steady Extensional Flow ................................................................................................................ 143 7.3. Oscillatory Shear Flow ................................................................................................................... 146 7.4. Transient Shear Flow ..................................................................................................................... 146 7.5. Transient Extensional Flow ............................................................................................................ 148 8. Defining and Plotting Curves .............................................................................................................. 149 8.1. Overview ...................................................................................................................................... 149 8.1.1. Definitions of Terms .............................................................................................................. 149 8.2. Working with Curves ..................................................................................................................... 150 8.2.1. Defining Experimental Data Curves ....................................................................................... 150 8.2.2. Reading Curve Files .............................................................................................................. 151 8.2.3. Deleting a Curve .................................................................................................................. 151 8.2.4. Modifying a Curve Definition ................................................................................................ 151 8.2.5. Saving a Curve ..................................................................................................................... 151 8.2.6. Moving or Copying a Curve .................................................................................................. 151 8.2.7. Modifying Curve Display Attributes ...................................................................................... 151 8.3. Adding, Removing, and Modifying Charts ...................................................................................... 152 8.3.1. Adding and Removing a Chart .............................................................................................. 152 8.3.2. Modifying the Title and Legend ............................................................................................ 153 8.3.3. Modifying the Range and Scaling ......................................................................................... 154 8.3.4. Modifying the Axis Attributes ............................................................................................... 154 9. Guidelines for Viscoelastic Models ..................................................................................................... 157 9.1. Introduction ................................................................................................................................. 157 9.2. The Weissenberg Number ............................................................................................................. 157 9.3. Viscometric and Rheometric Measurements .................................................................................. 158 9.3.1. Oscillatory Properties ........................................................................................................... 158 9.3.2. Steady-State Shear Viscosity ................................................................................................. 158 9.3.3. Transient Uniaxial Elongational Viscosity ............................................................................... 158 9.4. General Strategy for Fitting ........................................................................................................... 158 9.4.1. Weighting Measured Data .................................................................................................... 159 9.4.2. Assigning a Value to a Parameter .......................................................................................... 159 9.4.3. Relaxation Time vs. Relaxation Spectrum in Extrusion, Fiber Spinning, and Film Casting .......... 160 9.4.4. Relaxation Time vs. Relaxation Spectrum in Blow Molding and Thermoforming ...................... 161 9.5. Guidelines for Extrusion ................................................................................................................ 161 9.5.1. Important Effects ................................................................................................................. 161 9.5.1.1. 2D Extrusion ................................................................................................................ 161 9.5.1.2. 3D Extrusion ................................................................................................................ 161 9.5.2. Recommended Experimental Data ....................................................................................... 162 9.5.3. Recommended Models and Parameters ................................................................................ 162 9.6. Guidelines for Fiber Spinning ........................................................................................................ 163

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ANSYS POLYMAT User's Guide 9.6.1. Important Effects ................................................................................................................. 163 9.6.1.1. 2D Fiber Spinning ........................................................................................................ 163 9.6.1.2. 3D Fiber Spinning ........................................................................................................ 163 9.6.2. Recommended Experimental Data ....................................................................................... 163 9.6.3. Recommended Models and Parameters ................................................................................ 164 9.7. Guidelines for Film Casting ............................................................................................................ 165 9.7.1. Important Effects ................................................................................................................. 165 9.7.2. Recommended Experimental Data ....................................................................................... 165 9.7.3. Recommended Models and Parameters ................................................................................ 165 9.8. Guidelines for Blow Molding and Thermoforming .......................................................................... 165 9.8.1. Important Effects ................................................................................................................. 166 9.8.2. Recommended Experimental Data ....................................................................................... 166 9.8.3. Recommended Models and Parameters ................................................................................ 166 9.8.3.1. 2D Blow Molding and Thermoforming ......................................................................... 166 9.8.3.2. 3D Blow Molding and Thermoforming ......................................................................... 167 10. Examples ........................................................................................................................................... 169 10.1. Example 1: Non-Isothermal Generalized Newtonian Model ........................................................... 169 10.1.1. Experimental Data .............................................................................................................. 169 10.1.2. Fitting Procedure in ANSYS POLYMAT .................................................................................. 170 10.1.2.1. Step 1: Define the Fluid Model Type ............................................................................ 170 10.1.2.2. Step 2: Specify the Material Data Models and Fix Parameters ....................................... 170 10.1.2.3. Step 3: Read in and Draw the Experimental Data Curves .............................................. 171 10.1.2.4. Step 4: Run the Fitting Calculation .............................................................................. 172 10.1.2.5. Results ....................................................................................................................... 172 10.2. Example 2: Non-Isothermal Differential Viscoelastic Model ........................................................... 173 10.2.1. Experimental Data .............................................................................................................. 173 10.2.2. Fitting Procedure in ANSYS POLYMAT .................................................................................. 176 10.2.2.1. Step 1: Define the Fluid Model Type ............................................................................ 176 10.2.2.2. Step 2: Specify the Material Data Models and Fix Parameters ....................................... 176 10.2.2.3. Step 3: Read in and Draw the Experimental Data Curves .............................................. 178 10.2.2.4. Step 4: Set Numerical Options and Run the Fitting Calculation .................................... 180 10.2.2.5. Results ....................................................................................................................... 180 10.3. Example 3: Non-Isothermal Integral Viscoelastic Model ................................................................ 182 10.3.1. Experimental Data .............................................................................................................. 182 10.3.2. Fitting Procedure in ANSYS POLYMAT .................................................................................. 184 10.3.2.1. Step 1: Define the Fluid Model Type ............................................................................ 184 10.3.2.2. Step 2: Specify the Material Data Models and Fix Parameters ....................................... 184 10.3.2.3. Step 3: Read in and Draw the Experimental Data Curves .............................................. 185 10.3.2.4. Step 4: Set Numerical Options and Run the Fitting Calculation .................................... 187 10.3.2.5. Results ....................................................................................................................... 187 10.4. Example 4: Isothermal Differential Viscoelastic Model ................................................................... 188 10.4.1. Experimental Data .............................................................................................................. 189 10.4.2. Fitting Procedure in ANSYS POLYMAT .................................................................................. 192 10.4.2.1. Step 1: Define the Fluid Model Type ............................................................................ 192 10.4.2.2. Step 2: Specify the Material Data Models .................................................................... 192 10.4.2.3. Step 3: Read in and Draw the Experimental Data Curves .............................................. 193 10.4.2.4. Step 4: Set Numerical Options and Run the Fitting Calculation .................................... 196 10.4.2.5. Results ....................................................................................................................... 196 Bibliography ............................................................................................................................................. 199 Index ........................................................................................................................................................ 201

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Release 14.0 - SAS IP, Inc. All rights reserved. - Contains proprietary and confidential information of ANSYS, Inc. and its subsidiaries and affiliates.

This preface describes the following: 1. Whats in This Manual 2. Whats in the Other Manuals 3. How to Use This Manual 4.Typographical Conventions Used in This Manual 5. Contacting Technical Support

The ANSYS POLYMAT Users Guide tells you what you need to know in order to use ANSYS POLYMAT. The first chapter gives you an overview of ANSYS POLYMATs capabilities and how ANSYS POLYMAT relates to other ANSYS POLYFLOW modules, information about starting ANSYS POLYMAT, and a sample session, and the second chapter contains information about the user interface. The third and fourth chapters contain, respectively, information about file import/export and unit systems. The fifth chapter provides information about fitting material parameters to experimental data, and the sixth chapter describes the material data that needs to be defined for each type of model. The seventh chapter discusses the rheological properties that can be computed and plotted for different types of kinematics. The eighth chapter describes how to use ANSYS POLYMAT to define and plot curves. The ninth chapter presents some guidelines for fitting, while the tenth (and last) chapter presents several examples of automatic fitting. An index allows you to look up material relating to a particular subject. The idea is to help you find answers to your questions quickly and directly, whether you are a first-time user or an experienced user. The following provides a brief description of the content of each chapter: Getting Started (p. 1) describes ANSYS POLYMATs capabilities and the way in which it interacts with other ANSYS POLYFLOW modules and third-party material-data packages. It also gives an overview of the setup steps, and presents a sample session. User Interface (p. 17) describes the graphical user interface. Reading and Writing Files (p. 27) contains information about the files that ANSYS POLYMAT and ANSYS POLYCURVE can read and write. Unit Systems (p. 33) describes the unit systems available in ANSYS POLYMAT. Fitting Material Parameters (p. 37) provides instructions for fitting material parameters to experimental data. Material Data Parameters (p. 47) describes the material parameters that need to be defined for each type of model. Rheological Properties (p. 141) discusses the rheological properties that can be computed for different types of kinematics. Defining and Plotting Curves (p. 149) describes how to define experimental data and plot experimental and computed data curves. Guidelines for Viscoelastic Models (p. 157) presents guidelines for selecting an appropriate viscoelastic model and fitting the related parameters for several common applications. Examples (p. 169) presents examples of non-isothermal generalized Newtonian, differential viscoelastic, and integral viscoelastic fluids.

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In addition to this Users Guide, there are several other manuals available to help you use ANSYS POLYFLOW and its associated modules and programs: The ANSYS POLYFLOW Users Guide explains how to use ANSYS POLYDATA and ANSYS POLYFLOW to set up and solve a problem. The ANSYS POLYFLOW Tutorial Guide contains a number of example problems with complete detailed instructions, commentary, and postprocessing of results. The ANSYS POLYSTAT Users Guide explains how to set up a MIXING task in ANSYS POLYDATA and how to use the ANSYS POLYSTAT module for statistical postprocessing of results. The GAMBIT manuals teach you how to use the GAMBIT preprocessor for geometry creation and mesh generation. The CFD-Post Users Guide explains how to use CFD-Post to examine your results. The ANSYS POLYFLOW Examples Manual provides overviews of solutions to a variety of problem types. The ANSYS POLYFLOW in Workbench User's Guide explains how to use the ANSYS POLYFLOW application within ANSYS Workbench. The ANSYS POLYFLOW in Workbench Tutorial contains an example problem that illustrates the use of the ANSYS POLYFLOW application within ANSYS Workbench, with complete detailed instructions, commentary, and postprocessing of results.

Depending on your familiarity with computational fluid dynamics and ANSYS, Inc. software, you can use this manual in a variety of ways.

The suggested readings for the beginner are as follows: For an overview of ANSYS POLYMATs capabilities and how it interacts with other modules and thirdparty packages, read Getting Started (p. 1). For information about how to start ANSYS POLYMAT, see Getting Started (p. 1). In this chapter you will also find a sample session that illustrates how to use the automatic and non-automatic fitting methods in ANSYS POLYMAT. To learn about the user interface, read User Interface (p. 17). For information about reading and writing files, see Reading and Writing Files (p. 27). To learn how to convert to a different unit system, see Unit Systems (p. 33). For information about using the different fitting methods available in ANSYS POLYMAT, see Fitting Material Parameters (p. 37). To find out what material parameters need to be defined for each type of fluid model, see Material Data Parameters (p. 47). For guidelines on selecting models and setting parameters, see Guidelines for Viscoelastic Models (p. 157). To find out which rheological properties can be computed for your flow, see Rheological Properties (p. 141).

Contacting Technical Support To learn how to define curves for experimental data and plot experimental and computed data curves, see Defining and Plotting Curves (p. 149). This chapter also includes fitting guidelines for several common applications. For several examples of how to use ANSYS POLYMAT for different types of flows, see Examples (p. 169). This chapter also includes fitting guidelines for several common applications. Depending on the characteristics of your particular problem, and the tools you want to employ, use the table of contents and the index to find the relevant material for review.

If you are an experienced user who needs to look up specific information, there are two different tools that allow you to use the ANSYS POLYMAT Users Guide as a reference manual. The table of contents, as far as possible, lists topics that are discussed in a procedural order, enabling you to find material relating to a particular procedural step. There is also an index that allows you to access information about a particular subject.

Several typographical conventions are used in this manuals text to facilitate your learning process. Different type styles are used to indicate graphical user interface menu items, button and other GUI control labels, and text inputs that you enter (e.g., in the Create a New Curve dialog box, enter sample-curve for Name). A menu selection is indicated like this: Material Data indicates that the Material Data menu item should be selected from the POLYMAT menu. A mini flow chart is used to indicate selections from the menu bar. For example, File Exit indicates that the Exit item should be selected from the File pull-down menu in the ANSYS POLYMAT menu bar The word before an arrow invoke the pull-down menu (or submenu) and the final word indicates the item you should select from that pull-down menu.

Technical Support for ANSYS, Inc. products is provided either by ANSYS, Inc. directly or by one of our certified ANSYS Support Providers. Please check with the ANSYS Support Coordinator (ASC) at your company to determine who provides support for your company, or go to www.ansys.com and select About ANSYS> Contacts and Locations. The direct URL is: http://www1.ansys.com/customer/public/supportlist.asp. Follow the on-screen instructions to obtain your support provider contact information. You will need your customer number. If you don't know your customer number, contact the ASC at your company. If your support is provided by ANSYS, Inc. directly, Technical Support can be accessed quickly and efficiently from the ANSYS Customer Portal, which is available from the ANSYS Website (www.ansys.com)

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Using This Manual under Support> Technical Support where the Customer Portal is located. The direct URL is: http://www.ansys.com/customerportal. One of the many useful features of the Customer Portal is the Knowledge Resources Search, which can be found on the Home page of the Customer Portal. Systems and installation Knowledge Resources are easily accessible via the Customer Portal by using the following keywords in the search box: Systems/Installation. These Knowledge Resources provide solutions and guidance on how to resolve installation and licensing issues quickly. NORTH AMERICA All ANSYS, Inc. Products Web: Go to the ANSYS Customer Portal (http://www.ansys.com/customerportal) and select the appropriate option. Toll-Free Telephone: 1.800.711.7199 Fax: 1.724.514.5096 Support for University customers is provided only through the ANSYS Customer Portal. GERMANY ANSYS Mechanical Products Telephone: +49 (0) 8092 7005-55 Email: support@cadfem.de All ANSYS Products Web: Go to the ANSYS Customer Portal (http://www.ansys.com/customerportal) and select the appropriate option. National Toll-Free Telephone: German language: 0800 181 8499 English language: 0800 181 1565 International Telephone: German language: +49 6151 3644 300 English language: +49 6151 3644 400 Email: support-germany@ansys.com UNITED KINGDOM All ANSYS, Inc. Products Web: Go to the ANSYS Customer Portal (http://www.ansys.com/customerportal) and select the appropriate option. Telephone: +44 (0) 870 142 0300 Fax: +44 (0) 870 142 0302 Email: support-uk@ansys.com Support for University customers is provided only through the ANSYS Customer Portal.

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This chapter provides an introduction to ANSYS POLYMAT, an overview of how to use it, and instructions for starting it. In addition, a sample session is presented. 1.1. Introduction 1.2. Program Structure 1.3. Overview of Using ANSYS POLYMAT 1.4. Starting ANSYS POLYMAT 1.5. Starting ANSYS POLYCURVE 1.6. Sample Session

1.1. Introduction

ANSYS POLYMAT is an interactive graphical program that allows you to visualize material data, including steady shear viscosity and steady elongational viscosity. ANSYS POLYMAT computes material properties from constitutive equations and numerical parameters, for isothermal and non-isothermal generalized Newtonian, differential viscoelastic, and integral viscoelastic fluids. It can also compare them with experimental curves (i.e., fitting). The inputs for the model selection and parameters are similar to those in ANSYS POLYDATA. Figure 1.1 (p. 1) shows an example of fitting. The shear viscosity and shear stress for a KBKZ fluid with 6 relaxation modes and a Wagner damping function are plotted

ANSYS POLYMAT is part of the ANSYS POLYFLOW package, which includes the following products and modules. Figure 1.2 (p. 2) shows the organizational structure of these components. ANSYS POLYFLOW, the solver ANSYS POLYDATA, the preprocessor for problem definition GAMBIT, the preprocessor for geometry modeling and mesh generation ANSYS POLYMAT, the preprocessor for material data specification ANSYS POLYSTAT, the statistical postprocessor for quantitative comparison of flows ANSYS FLUENT/CFD-Post, the graphical postprocessor for examining results filters (translators) for import of meshes from CAD/CAE packages such as PATRAN and I-deas, and export of meshes and results to these and other programs

Overview of Using ANSYS POLYMAT ANSYS POLYMAN is an environment that allows you to manage your ANSYS POLYFLOW projects and start the modules and products listed above from a single entry point. See Starting ANSYS POLYMAT (p. 4) for details. You can create your geometry and mesh using GAMBIT. See the GAMBIT documentation for details. ANSYS DesignModeler and ANSYS Meshing can also be used to create geometries and meshes for ANSYS POLYFLOW. It is also possible to create meshes for ANSYS POLYFLOW using POLYCEM/POWERMESH, and POLYMESH (preprocessors that were used before the introduction of GAMBIT), as well as PATRAN and I-deas third-party CAD/CAE packages and other software packages that support these file formats. Once your mesh is created, you can read it into ANSYS POLYDATA and set up the simulation. In ANSYS POLYDATA, you will define the physical models, material properties, boundary and process conditions, numerical parameters, etc. When you have completed the problem definition, you will save it to a data file, which can be used to run ANSYS POLYFLOW. In conjunction with the problem specification in ANSYS POLYDATA, you can use the ANSYS POLYMAT preprocessor for some preliminary material property analysis. ANSYS POLYMAT allows you compute material properties based on experimental or other data. The result of the ANSYS POLYMAT calculation is material property data that is passed to ANSYS POLYDATA through a material data file. The use of ANSYS POLYMAT is optional; it is generally used when you need to determine complex material property data for your model. ANSYS POLYFLOW is the central solver. It computes a solution based on the problem definition specified in the data file that you created in ANSYS POLYDATA, and saves the solution to a results file. You can also start an ANSYS POLYFLOW calculation from a previous results file. Such a restarting procedure is useful, for example, in non-linear problems where you want to save CPU time. When you have completed your calculation in ANSYS POLYFLOW, you can use the graphical postprocessor ANSYS FLUENT/CFD-Post to examine your results. Other postprocessing packages that can be used to examine ANSYS POLYFLOW results are CFView-PF, ANSYS POLYPLOT, V3DMSH, DataVisualizer, PATRAN, and I-deas. In addition to the graphical postprocessors, a statistical postprocessor called ANSYS POLYSTAT is also available. ANSYS POLYSTAT allows you to interactively analyze properties calculated along particle trajectories and perform statistical calculations that can be used to predict mixing efficiency and other macroscopic flow properties. ANSYS POLYSTAT operates on a set of trajectories created by ANSYS POLYFLOW for a mixing task.

This section describes the following topics: 1.3.1. Planning Your ANSYS POLYMAT Analysis 1.3.2. Steps for Fitting Material Parameters

When you are planning to use ANSYS POLYMAT to determine the appropriate material parameters for your model, you should first give consideration to the following issues: Definition of the modeling goals: What specific results are required from the model and how will they be used? What degree of accuracy is required from the model? Choice of models: Is the flow isothermal or non-isothermal? If it is non-isothermal, can you simplify the problem to examine the isothermal material behavior first?

Release 14.0 - SAS IP, Inc. All rights reserved. - Contains proprietary and confidential information of ANSYS, Inc. and its subsidiaries and affiliates.

Chapter 1: Getting Started Careful consideration of these issues before beginning your ANSYS POLYMAT analysis will contribute significantly to the success of your modeling effort. When you are planning a CFD project, take advantage of the customer support provided to all ANSYS POLYMAT users.

To use ANSYS POLYMAT to fit material parameters to your data, you will follow the basic procedural steps below: 1. 2. 3. Start ANSYS POLYMAT. Decide if you want to use an automatic or non-automatic procedure. Follow the appropriate procedure, as described below. For the non-automatic procedure: a. b. c. d. e. f. Read or define the experimental data curve. Specify which curves you want to calculate (shear viscosity, shear stress, etc.). Define the numerical parameters for the curve calculation. Select the fluid model that matches your experimental data best, and define initial values for the associated material parameters. Vary the value of one material parameter at a time and draw the resulting data curve, until you find the combination that results in a curve most similar to your experimental curve. When you are satisfied with the curve fitting, save the material parameters to a material data file, which you can read into ANSYS POLYDATA during your problem definition. Select the fluid model that matches your experimental data best, and specify whether or not you want to fix any of the associated material parameters to a constant value. Specify the experimental data curves: type of data, temperature (if needed), and filename. Draw the experimental curves. Specify the name of the material data file to which ANSYS POLYMAT should save the material parameters when the fitting is complete. Define the numerical parameters for the curve fitting. Have ANSYS POLYMAT perform the fitting calculation by varying each of the non-fixed material parameters until the best combination is determined. By default, the computed curves are displayed on the same plot as the experimental data curves to allow for comparison.

The installation process (described in the separate installation instructions for your computer type) is designed to ensure that the requested program is launched when you follow the instructions below. If it is not, consult your computer systems manager or your technical support engineer. On Linux systems, all programs are started by typing the appropriate command from the command line of an xterm window. On Windows systems, you will type the appropriate command in an MS-DOS Command Prompt window. To start ANSYS POLYMAT, type

Release 14.0 - SAS IP, Inc. All rights reserved. - Contains proprietary and confidential information of ANSYS, Inc. and its subsidiaries and affiliates.

Sample Session

polymat

You can also start ANSYS POLYMAT from the Programs menu in ANSYS POLYMAN. First, select a .mat file, and then select the Programs/Others/Polymat menu item or type<Ctrl>M. See the ANSYS POLYFLOW Users Guide for details about ANSYS POLYMAN. It is also possible to launch ANSYS POLYMAT from within ANSYS POLYDATA, by selecting the Curve Fitting menu item in ANSYS POLYDATAs Material data menu.

ANSYS POLYCURVE is a limited version of the ANSYS POLYMAT user interface that can be used if you simply want to visualize data curves, without generating a material data file. On Linux systems, all programs are started by typing the appropriate command from the command line of an xterm window. On Windows systems, you will type the appropriate command in an MS-DOS Command Prompt window. To start ANSYS POLYCURVE, type

polycurve

To demonstrate the use of ANSYS POLYMAT to perform a simple fitting task, a sample session is provided in this section. You can follow (or just read) the instructions here to gain some insight into how ANSYS POLYMAT is used. 1.6.1. Problem Description 1.6.2. Outline of Procedure 1.6.3. Using the Non-Automatic Fitting Method 1.6.4. Using the Automatic Fitting Method

Consider a fluid for which you have the following experimental data for the shear viscosity vs. the shear rate: Shear Rate (1/s) 0.01 0.10 1.00 10.00 100.00 1000.00 Shear Viscosity (Pa-s) 4000 900 200 50 10 1

With a little experience, you can easily identify which viscous behavior the fluid seems to obey. In particular, for this case, you can observe that the viscous behavior of the fluid seems to follow the powerlaw model, which is one of the generalized Newtonian models available in ANSYS POLYMAT.

In this sample session, you will use ANSYS POLYMAT to find the correct parameters for the power-law model for the fluid with the behavior described in Problem Description (p. 5). There are two fitting methods available in ANSYS POLYMAT, and you will use both of them in this example. In the first (nonautomatic) method, you will change the value of one parameter at a time until you find the best fit. In the second (automatic) method, ANSYS POLYMAT will calculate the best fit for you. Each of these methods is outlined in Steps for Fitting Material Parameters (p. 4) and described in more detail in Fitting Material Parameters (p. 37). Using the Non-Automatic Fitting Method (p. 6) shows how to perform the fitting in this example using the non-automatic method, and Using the Automatic Fitting Method (p. 13) shows how to perform automatic fitting.

This section demonstrates how to use ANSYS POLYMAT to perform non-automatic fitting.

Sample Session

Start ANSYS POLYMAT by typing polymat, as described in Starting ANSYS POLYMAT (p. 4). You will use the ANSYS POLYMAT graphical user interface (which is described in User Interface (p. 17)) to set up your model. Click the curve button to open the Create a New Curve dialog box (Figure 1.4 (p. 7)).

Enter Viscosity for Name; this will act as the name of your data curve. Next, enter the coordinates of each of the 6 data points listed in Problem Description (p. 5) in the appropriate X and Y column of each numbered row, as shown in the previous figure. Finally, click OK to close the dialog box and plot the data points in the chart. The curve list (Figure 1.5 (p. 8)) will now contain a single curve: Viscosity.

Next, in order to fit a model to your experimental data curve, you will select the curves to be calculated. In this case, it is just the shear viscosity curve that is to be fitted, but in other cases you will usually have multiple data curves available. Click the Rheometry menu button (located near the top left side of the application window) to open the Load Curves (Part I) menu. The Shear Viscosity curve is selected by default, so you can simply select Upper level menu to return to the main menu.

There are several parameters you can modify to control the calculation of the model curves. Click the Numerics menu button to open the Numerical Parameters menu. For this example, you will keep the default settings (log-log plot, 100 data points, etc.), so you can simply select Upper level menu to return to the main menu. See Defining Numerical Parameters (p. 38) for details about these parameters.

To define the type of fluid model you want, select the Select Fluid Model menu item in the ANSYS POLYMAT menu.

Sample Session Select Fluid Model The default selection is for an isothermal Generalized Newtonian model, so you can simply select Upper level menu to return to the main menu.

Now you can choose the power-law model and set initial values for its parameters. In the ANSYS POLYMAT menu, select Material Data. Material Data Then choose Shear-rate dependence of viscosity. Shear-rate dependence of viscosity In the resulting menu, select Power law. Power law As described in Power Law (p. 52), the viscosity depends on the shear rate as follows in the power law:

(11)

The parameters K, , and n are called, respectively, fac, tnat, and expo in the ANSYS POLYMAT interface. Each has a default value of 1. The parameter K corresponds to the shear viscosity obtained at a shear rate = . In view of this, the same viscous behavior can be described by means of various sets of K, pairs. Before doing any fitting, you need to estimate the minimum and maximum shear rates occurring in the flow being simulated. You will try to fit the power-law model to the experimental curve in that range of values. For this example, the minimum and maximum shear rates are considered to be 0.1 and 10 s-1. As a first step, you will try to determine the value of K that matches at least one experimental data point, say, at a shear rate of 1. For this, consider =1 and n=1 (the default values). has been taken as the inverse of the selected shear rate, = , so that the argument of the power law is 1. You will change the value of K until the viscosity curve matches the experimental data at the point (1, 200).

1.6.3.5.1.1. Trying K=1

First, try keeping K=1 (the default value). Click the Draw menu button. ANSYS POLYMAT will use your initial values to compute a shear viscosity curve; this computed curve will then be drawn in the same chart that displays the experimental data points you added previously.

Now you can try other values of K and have ANSYS POLYMAT compute the viscosity curves for those values. To modify the value of K, click the Modify fac menu item in the ANSYS POLYMAT menu and set the new value using the dialog box that opens. Modify fac Set K=50, and click the Draw menu button to update the chart with the new curve. Repeat for K=500 and K=200. Figure 1.7 (p. 11) shows all of the curves for the various values of K. The curve for K=200 matches the point (1, 200), so this is the value you will keep for K.

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Sample Session

Now that you have determined the best value for K, you can begin to determine the best value for n, keeping K=200 and =1. Changing the value of n will rotate the computed curve around the point = . To modify the value of , click the Modify expo menu item in the ANSYS POLYMAT menu and set the new value using the dialog box that opens. Modify expo Try setting n to 0.7, 0.5, and 0.3, and click the Draw menu button to update the chart with the new curve after each change in n. Figure 1.8 (p. 12) shows all of the curves for the various values of n. The curve for n=0.3 matches the experimental data (in the range from 0.1 to 10 s-1), so this is the value you will keep for n.

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Thus the fitted values of the parameters are K=200, n=0.3, and =1. A change in will necessarily lead to a change in K.

Once you are satisfied with the parameters, you can save them to a material data file. Click Upper level menu three times to return to the top-level ANSYS POLYMAT menu. Then click Save in a Material Data File. Save in a Material Data File In the resulting dialog box, specify a name for the material data file (e.g., sample.mat) and click OK. When asked if you want to define or check the system of units, click No.

Since you are going to be using the same experimental data to practice using the automatic fitting method, it will save you some time if you can reuse these experimental data, instead of redefining them.

12

Sample Session To save the experimental data, first select the Viscosity from the curve list on the right side of the application window. Then click the curve button, which is located above the curve list. In the dialog box that opens, specify a name for the curve file ( sample.crv) and click Save.

Once you have saved the material data file, you can end the ANSYS POLYMAT session by clicking Exit from the File drop-down menu, located at the top left side of the application window. File Exit

This section demonstrates how to use ANSYS POLYMAT to perform automatic fitting. You will read in the experimental data from the curve file saved at the end of the non-automatic procedure.

Start a new session of ANSYS POLYMAT by typing polymat, as described in Starting ANSYS POLYMAT (p. 4). The first step is to define the type of fluid model you want. Click the Select Fluid Model menu item in the ANSYS POLYMAT menu. Select Fluid Model The default selection is for an isothermal Generalized Newtonian model, so you can simply select Upper level menu to return to the main menu.

Now you can choose the power-law model and fix values for any parameters that you do not want to be involved in the fitting calculation. In the ANSYS POLYMAT menu, click Material Data. Material Data Then click Shear-rate dependence of viscosity. Shear-rate dependence of viscosity In the resulting menu, click Power law. Power law By default, all parameters (K, , and n) are subject to modification during the fitting calculation. Since you are interested in fitting the curve for the case where =1, you can fix the value of so that it remains constant during the fitting calculation. To fix the value of , first click the Fix menu button. Click OK when ANSYS POLYMAT informs you that fixing is enabled. Click Modify tnat and click OK to keep the default value of 1. Modify tnat

13

Chapter 1: Getting Started Then click tnat is a fixed value to specify that is to remain constant during the fitting calculation. tnat is a fixed value Click Upper level menu, and then click the Fix menu button again to disable fixing. Click Upper level menu three more times to return to the top-level ANSYS POLYMAT menu.

In the top-level ANSYS POLYMAT menu, click Automatic fitting. Automatic fitting Then click Add experimental curves. Add experimental curves Click Add a new curve. Add a new curve Click Enter the name of the curve file and, in the resulting dialog box, select the file sample.crv you created previously and click OK. Enter the name of the curve file Click Upper level menu twice to return to the Automatic Fitting menu.

In the Automatic Fitting menu, click Draw experimental curves to plot the experimental data points in the chart. Draw experimental curves

As discussed in the non-automatic procedure, the range of shear rates that is of interest is from 0.1 to 10. To limit the range for the fitting calculation, begin by clicking Numerical options for fitting in the Automatic Fitting menu. Numerical options for fitting Then click Modify the window of shear rates and, when prompted, enter 0.1 for the minimum shear rate and 10 for the maximum. Modify the window of shear rates Click Upper level menu to return to the Automatic Fitting menu.

14

Sample Session

Before you run the automatic fitting, you need to provide a name for the file where ANSYS POLYMAT will save the results of the fitting calculation. You can read this material data file into ANSYS POLYDATA when you are setting up the flow simulation, or read it into a later ANSYS POLYMAT session to examine the curves again or perform further fitting. To define the filename for the material data file, click Enter the name of the result file in the Automatic Fitting menu. Enter the name of the result file Specify the name auto.mat in the Enter the name of the mat file dialog box that opens, and click Open.

Click the Run fitting... menu item in the Automatic Fitting menu. Run fitting... ANSYS POLYMAT will automatically compute the shear viscosity curve, save the results to the auto.mat file, and update the chart to show the computed and experimental curves. Figure 1.9 (p. 16) shows the resulting chart.

15

You can view calculated parameter values by clicking the View listing of fitting menu item in the Automatic fitting menu. View listing of fitting The values of the parameters for this sample session are as follows: K=208.0, =1, and n=0.3723. These values are close to those you determined using the non-automatic procedure, but the automatic procedure has provided a slightly more accurate result with much less effort from you. You can end the ANSYS POLYMAT session by clicking Exit from the File drop-down menu, located at the top left side of the application window. File Exit

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This chapter describes the ANSYS POLYMAT and ANSYS POLYCURVE graphical user interfaces. 2.1. POLYMAT GUI Components 2.2. POLYCURVE GUI Components

The POLYMAT graphical user interface (GUI) is made up of nine main components: the menu bar, menu buttons, menu, chart buttons, chart window, curve buttons, curve list, curve settings, and output text window. When you use the GUI, you will be interacting with one of these components (or a dialog box opened by one of these components) at all times. Figure 2.1 (p. 18) is a sample screen shot showing all of the GUI components. These components allow you to create 2D graphics that visualize the rheological properties of various fluid models and fit them to experimental data. The nine GUI components are described in detail in the subsequent sections.

17

The menu bar (Figure 2.2 (p. 19)) provides pull-down menus.

18

The File pull-down menu provides the following selections: Options opens the POLYMAT Options dialog box, which you can use to modify the font used for the comments (i.e., the notes at the top of the menu), the menu items, and the output text window. Exit closes the POLYMAT application.

The Help pull-down menu provides the following selections: Current Menu opens the help topic panel, shown in Figure 2.3 (p. 19). This panel provides information about the currently displayed menu.

If you want to see more information about a particular topic, click the Index link in the help topic panel. The help topic panel will display the Polyflow Reference Manual : Index (Figure 2.4 (p. 20)), which provides an alphabetical list of topics. Click the topic of interest to view the available information. Click OK to close the panel when you are done using the help system.

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POLYMAT User's Guide... opens the POLYMAT User's Guide in the ANSYS help viewer. Note that the ANSYS help viewer provides access to other ANSYS documentation as well. POLYMAT User's Guide (PDF)... opens a PDF of the POLYMAT User's Guide in Acrobat Reader. If you do not have Acrobat Reader, you can download it for free from Adobe (www.adobe.com). About... opens a window that displays information about POLYMAT, including the version number, legal notice, and third-party attributions.

The menu buttons (Figure 2.5 (p. 20)) perform commonly executed actions and open menus.

The following menu buttons are available: Numerics opens the Numerical Parameters menu, where you can define the numerical parameters used to calculate the rheological curves.

20

POLYMAT GUI Components Rheometry opens the Load Curves (Part I) menu where you can specify which rheological curves you want to compute and display (e.g., shear viscosity, shear stress). Draw displays all curves (selected in the Load Curves (Part I) menu) in the chart window. These curves are generated based on the current data you have entered. Fix turns on or off the fixing of material data parameters for the automatic fitting method. See Fixing Values for Selected Material Parameters (p. 43) for details.

The menu (Figure 2.6 (p. 21)) is where you will select the menu items used to set up your analysis. The available menus are accessed via menu buttons or menu items.

The chart buttons (Figure 2.7 (p. 21)) perform actions in the chart window and provides help for plotting curves.

) adjusts the scale of the axes of the current chart tab to show all

21

) allows you to import a curve file via the Import curve file dialog

The chart window (Figure 2.8 (p. 22)) shows the experimental or computed curves. The chart window can display multiple chart tabs, and is updated by the Draw menu button or by the various curve buttons. See Defining and Plotting Curves (p. 149) for details.

You can translate the view of the curves by clicking the left mouse button in a chart and dragging the mouse. You can revise the magnification of the view, by hovering your mouse over the chart and rotating the scroll wheel of your mouse. You can also zoom in by positioning the mouse at the corner of the area to be magnified, holding down the middle mouse button, and dragging the mouse to create a rectangle; when you release the middle mouse button, the area within the rectangle will fill the chart.

The curve buttons (Figure 2.9 (p. 22)) allow you to take action related to curve data.

22

POLYMAT GUI Components The button allows you to create a curve, by inputting coordinates in the Create a New Curve dialog box that opens. The button deletes the curve selected in the curve list.

button allows you to save the data associated with the curve selected in the curve list to a file, The via the Save curve dialog box that opens. The button allows you to move or copy the curve selected in the curve list to another chart, via the Move or Copy Curve(s) dialog box that opens. The button allows you to edit the curve selected in the curve list, via the Edit <name> dialog box that opens (where <name> is the name of the selected curve).

The curve list (Figure 2.10 (p. 23)) displays the created curves, and allows you to select curves when taking action with a curve button.

The curve settings (Figure 2.11 (p. 24)) allow you to manipulate the lines and markers displayed for the curve selected in the curve list.

23

The curve settings includes the following controls: The Line drop-down list allows you to specify whether a line is displayed between the plotted points of the curve selected in the curve list, and provides options for the kind of line. The Color button displays the currently selected color for the line drawn by the Line drop-down list, and when clicked, allows you to change the color via the Color dialog box that opens. The Thickness number-entry box allows you to specify the thickness of the line drawn by the Line drop-down list. The Marker drop-down list allows you specify the plotted points of the curve selected in the curve list.

The output text window (Figure 2.12 (p. 24)) displays information on the progress of POLYMAT and possible warnings and errors.

The POLYCURVE graphical user interface (Figure 2.13 (p. 25)) is made up of six main components: the chart buttons, chart window, curve buttons, curve list, curve settings, and output text window. These components behave in the same manner as those in POLYMAT, as described in the previous sections. POLYCURVE is essentially a limited version of POLYMAT, with an additional Exit chart button ( ) that that can be used to close the application, as well as an additional Help chart button ( opens the ANSYS help viewer to the section of the POLYMAT User's Guide that describes how to define and plot curves (i.e., Defining and Plotting Curves (p. 149)). Note that the ANSYS help viewer provides access to other ANSYS documentation as well. )

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25

26

This chapter describes the different types of files that are used during an ANSYS POLYMAT session. Information in this chapter is presented in the following sections: 3.1. Files Written or Read by ANSYS POLYMAT and ANSYS POLYCURVE 3.2. Reading Experimental Data 3.3. Saving Experimental Data 3.4. Reading and Writing Material Data 3.5. Reading CAMPUS Material Property Files

During an ANSYS POLYMAT session, you will generally need to read and write several kinds of files. Table 3.1: Files Written and Read by ANSYS POLYMAT and ANSYS POLYCURVE (p. 27) lists the files that ANSYS POLYMAT and ANSYS POLYCURVE can read and/or write. You can use this table to get an overview of the files you may be using, to find out which codes write a particular file, and to see where to look for more information on each file.

Table 3.1 Files Written and Read by ANSYS POLYMAT and ANSYS POLYCURVE

File Type Created By Used By Default Name or Suffix .crv See...

ANSYS POLYMAT, ANSYS POLYCURVE ANSYS POLYMAT, ANSYS POLYDATA ANSYS POLYMAT

Reading Experimental Data, Saving Experimental Data Reading and Writing Material Data Reading CAMPUS Material Property Files

.dat .cmp

This section describes the following topics: 3.2.1. Reading Experimental Data Curves for the Non-Automatic Fitting Method 3.2.2. Reading Experimental Data Curves for the Automatic Fitting Method

3.2.1. Reading Experimental Data Curves for the Non-Automatic Fitting Method

If you are using the non-automatic fitting method in ANSYS POLYMAT, you will need to read a file containing the curve data. Note that it is also possible to define the experimental data curve within ANSYS POLYMAT, as described in Working with Curves (p. 150). If the data is available in a file, however, it will be quicker to simply read the file.

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Chapter 3: Reading and Writing Files The format of the curve file is as follows:

# Title or name of the current curve # # # x1 y1 x2 y2 etc.

The first five lines contain an optional header containing the curve name. The remaining lines are a set of points that define the curve. On each line there is one pair of values, with up to 14 characters per value (including the sign at the beginning of a negative number) and 7 digits after the decimal point, separated by a blank space. An excerpt from a sample curve file is shown below:

# Shear viscosity: 1 # # # 1.0000000e-03 2.5178512e+04 1.2045038e-03 2.2103666e+04 1.4508285e-03 1.9404324e+04 1.7475284e-03 1.7034652e+04 2.1049045e-03 1.4954349e+04 2.5353641e-03 1.3128096e+04 3.0538556e-03 1.1524868e+04 3.6783805e-03 1.0117430e+04 4.4306209e-03 8.8818760e+03 5.3366995e-03 7.7972090e+03 6.4280746e-03 6.8449990e+03 7.7426359e-03 6.0090786e+03

To read experimental data files into ANSYS POLYMAT, follow this procedure:

1.

Click the chart button to open the Import curve file dialog box (Figure 3.1 (p. 29)), which you can select the appropriate file.

28

2. 3.

Repeat the previous step to import additional experimental data curves. If you want to remove a curve file you after it has been imported, you can click it in the curve list in POLYMAT and click the curve button.

3.2.2. Reading Experimental Data Curves for the Automatic Fitting Method

If you are using the automatic fitting procedure in ANSYS POLYMAT, you will need to read your experimental curve data directly into ANSYS POLYMAT. The format of the curve file is provided in Reading Experimental Data Curves for the Non-Automatic Fitting Method (p. 27), and the procedure for reading it is as follows: 1. In the Automatic Fitting menu, click the Add experimental curves menu item. Add experimental curves 2. Select Add a new curve. Add a new curve 3. Specify the name of the file containing the data curve. Enter the name of the curve file Note that, for a viscoelastic model, you will need to define three types of curves: viscosity/shearrate, storage modulus, and loss modulus. You can also define an optional transient uniaxial extenRelease 14.0 - SAS IP, Inc. All rights reserved. - Contains proprietary and confidential information of ANSYS, Inc. and its subsidiaries and affiliates.

29

Chapter 3: Reading and Writing Files sional viscosity curve. You can specify the curves in any order; the type of the curve you read in will be defined in the next step. 4. If the flow is viscoelastic, specify which type of curve this is. Modify the curve type If the file you just read in contains the viscosity vs. shear-rate curve, click steady shear viscosity; if it contains the storage modulus vs. frequency curve, click storage modulus G; if it contains the loss modulus vs. frequency, click loss modulus G"; if it contains the transient extensional viscosity curve, click transient extensional flow; and if it contains the first normal stress difference vs. shear rate curve, click 1st Normal Stress Difference. For a transient extensional flow, you must also specify some flow characteristics such as: 5. Mode (uniaxial, biaxial, planar) Whether the curve is extensional viscosity vs. time or stress vs. strain (ln(1/lo)), where lo is the initial length of the fiber and l is its current length. Whether the fiber is stretched at constant strain rate or at constant stretch velocity.

If the flow is non-isothermal, specify the temperature at which the data were measured. Modify the temperature

6.

If the flow is viscoelastic and the file you just read in contains the transient extensional viscosity curve, = , where lo is the initial length of the fiber and V is specify the initial strain rate ( = the initial extension viscosity. Modify the initial strain rate (V/lo)

7.

Return to the upper level menu. Upper level menu The curve name will be added to the List of Experimental Curves menu.

8.

If you need to modify any of the settings for a previously defined curve, click its name in the List of Experimental Curves menu. If you want to delete a curve, click Remove a curve. Then select the name of the curve to be deleted, or click Remove all curves to delete all the curves that have been defined. Repeat the steps above if you have additional curves to define.

9.

If you want to save experimental data from ANSYS POLYMAT, follow the steps below. The format of the curve file is described in Reading Experimental Data Curves for the Non-Automatic Fitting Method (p. 27). 1. 2. 3. Plot the data curve, as described in Reading Curve Files (p. 151). In the curve list, click the data curve you want to save. Click the opens. curve button, and specify a name for the experimental data file in the browser that

30

To save a material data file so you can use it in setting up a problem in ANSYS POLYDATA, click the Save in a Material Data File menu item in the top-level ANSYS POLYMAT menu. Save in a Material Data File Note that ANSYS POLYMAT will save a material data file automatically after it performs automatic fitting. See Automatic Fitting (p. 42) for details. If you have saved a material data file from ANSYS POLYMAT (or from ANSYS POLYDATA), you can read it into ANSYS POLYMAT by clicking the Read a Material Data File menu item. Read a Material Data File Reading in an existing material data file is a convenient way to start a related fitting analysis. For example, you can use the relaxation times and corresponding partial viscosities of a given model to perform a fitting analysis to find non-linear parameters. You can also read in an existing material data file in order to draw the property curves for the model (e.g., viscosity vs. shear rate) and possibly compare them with experimental data.

If you have a file containing material properties from the CAMPUS material database (version 3.0 or later), you can import this material data into ANSYS POLYMAT by clicking the Load a Campus File menu item in the top-level ANSYS POLYMAT menu. Load a Campus File The following properties can be read from the CAMPUS file: density of melt thermal conductivity of melt heat capacity of melt curve(s) of viscosity vs. shear rate at a given temperature viscosity model parameters

Note that all data in a CAMPUS file are in the MKS unit system. See Unit Systems (p. 33) for information about converting to a new unit system. A sample CAMPUS file is shown below:

######## #GE Plastics Europe #CAMPUS Version 4.1 #July 1999 #ENDURAN 7062 BEGIN DENSITY_OF_MELT #kg/m3 1600 ENDOF DENSITY_OF_MELT BEGIN THERMAL_CONDUCTIVITY_OF_MELT #W/(m K) 0.29 ENDOF THERMAL_CONDUCTIVITY_OF_MELT

31

BEGIN SPEC_HEAT_CAPACITY_OF_MELT #J/(kg K) 1500 ENDOF SPEC_HEAT_CAPACITY_OF_MELT BEGIN VISCOSITY_CURVES 260 Enduran7062_260.crv 270 Enduran7062_270.crv 280 Enduran7062_280.crv ENDOF VISCOSITY_CURVES BEGIN CARREAU_WLF #K1 #Pa s 138.652 #K2 #s 0.0005006 #K3 0.678041 #K4 #C 270 #K5 #C 187.121 BEGIN FORMULA # # viscosity = F(g*H(T)) * H(T) # # F(g) = K1 / ( 1 + K2 * g ) ** K3 # # H(T) = exp [ 8.86 * (K4-K5)/(101.6+K4-K5) - 8.86 * (T-K5)/(101.6+T-K5)] # ENDOF FORMULA ENDOF CARREAU_WLF ########

32

Information about unit systems for ANSYS POLYMAT is presented in this chapter. 4.1. Overview of Units 4.2. Converting to a New Unit System 4.3. Restrictions on Units

By default, all material data inputs to ANSYS POLYMAT are in the international MKS (meter, kilogram, second) unit system. You can, however, change to a different unit system, such as the CGS (centimeter, gram, second) system. You can also specify different units for individual quantities (length, mass, time, temperature, or electric current), rather than using a standard system of units. This allows you to customize the units to match your data, thus simplifying the setup procedure by eliminating the need to convert the units yourself. For example, if your viscosity data is in poise (g/s-cm) instead of Pa-s (kg/s-m), you should change the length units from meters to centimeters and the mass units from kilograms to grams.

If you want to change to a new unit system for material data, rather than the default MKSA + Kelvin system (e.g., if you want to change to CGSA + Celsius, or keep MKSA but use Fahrenheit for temperature instead of Kelvin), then follow the steps below. 1. Select Change system of units in the top-level ANSYS POLYMAT menu. Change system of units ANSYS POLYMAT will show a menu that includes the current units for length, mass, time, temperature, and electric current. 2. Specify the system of units that you are currently using for material data. By default, the current system is MKSA + Kelvin unit for temperature. If you have been entering inputs using a different unit system (e.g., if you have been entering values based on a mass unit of grams instead of kilograms), then you need to modify the current system to ensure that your past inputs are converted properly to the new unit system. a. Select Define current system of Units Define current system of Units (Note that this menu item is called Modify current system of Units if you have selected it before.) The new menu presents a set of common systems of units. Select the system that corresponds to your system of units. The standard systems are:

33

Chapter 4: Unit Systems American #1, using inch, pound, second, Ampere and Fahrenheit units American #2, using feet, pound, second, Ampere and Fahrenheit units Metric #1, using millimeter, gram, second, milliAmpere and Celsius units Metric #2, using centimeter, gram, second, Ampere and Celsius units (CGSA + Celsius) Metric #3, using meter, kilogram, second, Ampere and Celsius units (MKSA + Celsius) Metric #4, using meter, kilogram, second, Ampere and Kelvin units (MKSA + Kelvin, the default system)

b. c.

If none of the options corresponds to your case, select each quantity to be modified and choose its correct unit. When you are done defining units, select Upper level menu and review the current system of units. Your current system of units will be named user defined system in the comment part of the menu if it does not correspond to a standard system. If you want to return to a standard system, then select it in the menu.

3.

Specify the system of units to which you want to convert your inputs (and continue to use for subsequent inputs after the conversion). a. Select Define new system of Units. Define new system of Units (Note that this menu item will be called Modify new system of Units if you have selected it before.) The new menu presents the same set of common systems of units as described above. If one of the common systems corresponds to your system, then select it. b. c. If none of the options corresponds to your case, select each quantity to be modified and choose its unit. When you are done defining units, select Upper level menu and review the new system of units. Your new system of units will be named user defined system in the comment part of the menu if it does not correspond to a standard system. If you want to return to a standard system, then select it in the menu.

4.

Convert from the current system of units to the new system. RUN ANSYS POLYMAT will convert the units, and open a separate window to report the progress and any errors or other messages.

5. 6.

Press the Return key on your keyboard to close the window. ANSYS POLYMAT will then ask you to confirm that you want to change to the new unit system. Click Yes to accept the new unit system (or click No to return to the original system of units).

The new system is now the current system. All future inputs in the Material Data menu will be in the new unit system.

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34

Restrictions on Units

Note the following restrictions on units: All experimental data curves must have the same units. The unit conversion described in Converting to a New Unit System (p. 33) is performed only for quantities in the Material Data menu in ANSYS POLYMAT. Other parameters (data curves, numerical parameters, temperature at which a viscosity curve is to be computed, etc.) must be in the new unit system; they will not be converted for you. If you save a material data file in a new unit system (e.g., CGSA + Celsius) and you use it in an ANSYS POLYDATA session where MKSA + Kelvin units are being used, be sure to convert the material data to MKSA + Kelvin in ANSYS POLYDATA, as described in the ANSYS POLYFLOW Users Guide.

35

36

This chapter explains how to use the automatic and non-automatic fitting methods available in ANSYS POLYMAT. 5.1. Introduction 5.2. Non-Automatic Fitting 5.3. Automatic Fitting

5.1. Introduction

ANSYS POLYMAT offers two types of fitting for material data: a non-automatic method and an automatic method. The non-automatic method allows you to perform an in-depth analysis of the properties of a fluid material. If you use the non-automatic method, you can easily perform a sensitivity analysis of the basic viscometric and elongational properties with respect to several non-linear parameters. The automatic method is useful for cases where you are primarily interested in directly obtaining the material parameters for a given fluid. Both methods are available for almost all types of models: generalized Newtonian, differential viscoelastic, integral viscoelastic, and simplified viscoelastic. There are, however, the following limitations: For the simplified viscoelastic model, only the Newtonian part of the model can be fitted (the rheometric curves evaluated by ANSYS POLYMAT are not recognized by the additional viscoelastic term of the model). For the new differential viscoelastic Leonov model, the fitting is not allowed because the computation of the rheometric curves are not yet implemented.

The procedures you need to follow to use the non-automatic and automatic methods are presented in Non-Automatic Fitting (p. 37) and Automatic Fitting (p. 42), respectively. Details about the inputs for individual fluid models (e.g., Bird-Carreau law) are provided in Material Data Parameters (p. 47), descriptions of the rheological properties for which you can perform fitting are provided in Rheological Properties (p. 141), and information about controlling the graphical display of the data curves is provided in Defining and Plotting Curves (p. 149).

This section explains how to use the non-automatic fitting method in ANSYS POLYMAT. 5.2.1. Steps for Non-Automatic Fitting 5.2.2. Specifying the Curves to be Calculated 5.2.3. Defining Numerical Parameters 5.2.4. Selecting the Type of Fluid Model 5.2.5. Defining Initial Values for the Material Parameters 5.2.6. Performing the Fitting Analysis

The steps for non-automatic fitting are as follows:

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Chapter 5: Fitting Material Parameters 1. Read the experimental data curve(s) or define the experimental data curve(s) in the ANSYS POLYMAT. See Reading Experimental Data Curves for the Non-Automatic Fitting Method (p. 27) and Working with Curves (p. 150). Specify which curves you want to calculate (shear viscosity, shear stress, etc.). See Specifying the Curves to be Calculated (p. 38) for details. Define the numerical parameters for the curve calculation. See Defining Numerical Parameters (p. 38) for details. Select the fluid model that matches your experimental data best, and define initial values for the associated material parameters. See Selecting the Type of Fluid Model (p. 40) and Defining Initial Values for the Material Parameters (p. 40) for details. Vary the value of one material parameter at a time and draw the resulting data curve, until you find the combination that results in a curve most similar to your experimental curve. See Performing the Fitting Analysis (p. 41) for details. When you are satisfied with the curve fitting, save the material parameters to a material data file, which you can read into ANSYS POLYDATA during your problem definition. See Reading and Writing Material Data (p. 31) for details about saving a material data file.

2. 3. 4.

5.

6.

After you have read or defined your experimental data curve(s), you will need to specify which curves you want ANSYS POLYMAT to calculate during the fitting. See Rheological Properties (p. 141) for details about the types of curves that are available. To access the Load Curves (Part I) menu (where you will select the curves to be calculated), click the Rheometry menu button near the top of the ANSYS POLYMAT application window. Select each of the curves you want, and click Upper level menu when you are done.

Next you will need to set some parameters that will be used by ANSYS POLYMAT when it calculates the specified curves during the fitting process. To access the Numerical Parameters menu, click the Numerics menu button near the top of the ANSYS POLYMAT application window. In this menu, you can specify the number of points used to represent a curve, whether or not to use a log-log scale, the range of shear rates, and several other parameters, as described below. Number of points: The rheological curves are discretized into a set of points. Using more points results in a better representation of the curves. The default number of points is 100, which is acceptable for most cases. To change the number of points, click Modify the number of points in the Numerical Parameters menu. Modify the number of points Logarithmic or linear scale: By default, the scale for the curves will be log x, log y. To change to an x,y scale, click Switch to linear distr. of points (steady curves) or Switch to linear distr. of points (transient curves) in the Numerical Parameters menu. The first option applies to steady curves (e.g., viscosity vs. shear rate) and the second applies to transient curves (e.g., extensional viscosity vs. time). Switch to linear distr. of points (steady curves) Switch to linear distr. of points (transient curves)

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38

Non-Automatic Fitting Range of shear rates: If you want to compare rheological curves obtained for a steady shear flow, you will need to specify the minimum and maximum values of shear rate for the curves so that they will all be consistent. To set these values, click Modify the range of shear rates in the Numerical Parameters menu. Modify the range of shear rates Range of extensional strain rates: If you want to compare rheological curves obtained for a steady extensional flow, you will need to specify the minimum and maximum values of extensional strain rate for the curves so that they will all be consistent. To set these values, click Modify the range of exten. strain rates in the Numerical Parameters menu. Modify the range of exten. strain rates Range of times: If you want to compare rheological curves obtained for a transient flow, you will need to specify the minimum and maximum values of time for the curves so that they will all be consistent. To set these values, click Modify the range of times in the Numerical Parameters menu. Modify the range of times Range of frequencies: If you want to compare rheological curves obtained for an oscillatory shear flow, you will need to specify the minimum and maximum frequencies for the curves so that they will all be consistent. To set these values, click Modify the range of frequencies in the Numerical Parameters menu. Modify the range of frequencies Time variation of the shear rate: For a transient shear flow, you will need to specify the time variation of the shear rate. First, choose Modify transient shear flow in the Numerical Parameters menu. Modify transient shear flow The shear rate is defined as a piecewise-constant curve. You can specify the number of segments (Modify the number of intervals), and then specify the range of times and the shear rate for each interval (Modify the times and Modify the shear rates). When you request a curve of the transient shear viscosity, ANSYS POLYMAT actually computes the shear stress. When the shear rate is constant, the shear viscosity can be obtained by dividing the shear stress by the shear rate; when the shear rate is not constant, this calculation is not always valid. Most of the time, the transient shear viscosity corresponds to a start-up experiment, where the shear rate is equal to 0 up to time t, and then it becomes a non-zero constant value (K). In such cases, the shear rate should be set to the constant K. ANSYS POLYMAT will obtain the current shear viscosity by dividing the current shear stress by the current shear rate. For more complex cases, you will need to set the reference shear rate appropriately so that the shear viscosity can be correctly obtained by dividing the shear stress by the shear rate. Time variation of the extensional strain rate: For a transient extensional flow, you will need to specify the time variation of the extensional strain rate. First, choose Modify transient extensional flow in the Numerical Parameters menu. Modify transient extensional flow

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Chapter 5: Fitting Material Parameters The extensional strain rate is defined as a piecewise-constant curve. You can specify the number of segments (Modify the number of intervals), and then specify the range of times and the extensional strain rate for each interval (Modify the times and Modify the extensional strain rates). When you request a curve of the transient extensional viscosity, ANSYS POLYMAT actually computes the extensional stress. When the extensional strain rate is constant, the extensional viscosity can be obtained by dividing the extensional stress by the extensional strain rate; when the extensional strain rate is not constant, this calculation is not always valid. Most of the time, the transient extensional viscosity corresponds to a start-up experiment, where the extensional strain rate is equal to 0 up to time t, and then it becomes a non-zero constant value (K). ANSYS POLYMAT will obtain the extensional viscosity by dividing the current extensional stress by the current extensional strain rate. To define the time evolution of the strain rate applied on the fiber you can use either of the following methods. Specify a piecewise-constant curve for the time evolution of the extensional strain rate. Specify an extension strain rate decreasing with time following the law:

(51)

where V is the constant take-up (or stretch)

where the initial extension rate is = and lo is the initial length of the fiber.

Reference temperature: For a non-isothermal flow, you will need to provide at least one reference temperature. For each temperature, the rheological curves will be calculated for comparison with experimental data. To add, modify, or remove a reference temperature, use the List of temperatures menu, which is opened by clicking Modify the temperature Modify the temperature

To specify the type of flow you are modeling, choose the Select Fluid Model menu item in the toplevel ANSYS POLYMAT menu. Select Fluid Model In the resulting menu, you can choose isothermal or non-isothermal generalized Newtonian, differential viscoelastic, integral viscoelastic, or simplified viscoelastic flow. Click Upper level menu when you are done. If you plan to perform fitting for the temperature dependence of the viscosity in a non-isothermal flow, note that you will need to supply several experimental data curves at different temperatures.

Once you have specified the type of fluid model you want to fit (as described in Selecting the Type of Fluid Model (p. 40)), follow the steps below to set the initial values for the material parameters. See Material Data Parameters (p. 47) for details about the material parameters for different viscosity models. 1. Click Material Data in the top-level ANSYS POLYMAT menu.

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40

Non-Automatic Fitting Material Data 2. 3. 4. 5. 6. 7. 8. Click the menu item for the material property you want to specify (e.g., Shear-rate dependence of viscosity). Choose the desired law (e.g., Bird-Carreau law). Click the parameter to be set (e.g., Modify fac), and enter the initial value. Click Upper level menu. Repeat the previous two steps to define initial values for the other parameters. When you have set initial values for all of the relevant material parameters, click Upper level menu twice to return to the Material Data menu. If relevant, click the menu item for the next material property you want to specify (e.g., Temperature dependence of viscosity), and follow the same procedure for selecting the desired law and setting the related initial values. (optional) Specify values for any other relevant properties (e.g., Density or Thermal conductivity). Note that these values will have no effect on the fitting procedure, but setting them will allow you to save a material data file containing a full description of the fluid model.

9.

10. Click Upper level menu to return to the top-level ANSYS POLYMAT menu.

Now that you have defined initial values for all the relevant material parameters for your model, you can begin the process of determining the values that best fit your experimental data. 1. Click the Draw menu button near the top of the ANSYS POLYMAT application window. ANSYS POLYMAT will use your initial values to compute the curves you selected in the Load Curves (Part I) menu (as described in Specifying the Curves to be Calculated (p. 38)), and then it will draw them in the chart.

2.

Add the experimental data curve to the plot, by clicking the Import... chart button ( and selecting the appropriate file in the browser that opens. See Defining and Plotting Curves (p. 149) for other information about graphical plots.

3.

Return to the Material Data menu and change the values of the material parameters. If you are not familiar with the fluid model you are using, see Material Data Parameters (p. 47). Note that it is often easier to vary the material parameters one at a time, so that you can analyze the effects of each of them before trying to actually fit the model. Click the Draw menu button, and the plot in the chart will be updated to show the new curve (as well as the old one and the experimental curve). Repeat the previous two steps until the computed curve(s) are close enough to the experimental curves. If you are varying one parameter at a time, return to the Material Data menu and change the value of one of the other material parameters. If not, skip to the end of this procedure. Click the Draw menu button to update the plot with the newly computed curve. Continue to change the value of the second parameter and update the plot until you find the best value for this parameter as well. Repeat the previous three steps until you have found the best values for all parameters.

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4. 5. 6. 7. 8. 9.

41

Important

Remember to save your values to a material data file, as described in Reading and Writing Material Data (p. 31).

This section explains how to use the automatic fitting method in ANSYS POLYMAT: 5.3.1. Steps for Automatic Fitting 5.3.2. Selecting the Type of Fluid Model 5.3.3. Fixing Values for Selected Material Parameters 5.3.4. Defining Numerical Parameters 5.3.5. Drawing the Experimental Curves 5.3.6. Specifying a Name for the Material Data File 5.3.7. Performing the Automatic Fitting Analysis

The steps for automatic fitting are as follows: 1. Select the fluid model that matches your experimental data best, and fix values for any of the associated material parameters that you want to remain constant during the fitting calculation. See Selecting the Type of Fluid Model (p. 42) and Fixing Values for Selected Material Parameters (p. 43) for details. Read the experimental data curve(s) into ANSYS POLYMAT. See Reading Experimental Data Curves for the Automatic Fitting Method (p. 29) for information about reading a data curve. (If you need to define a data curve, you can do so by following the steps described in Working with Curves (p. 150). Then save the curve, as described in Saving Experimental Data (p. 30).) Define the numerical parameters for the curve calculation. See Defining Numerical Parameters (p. 44) for details. Draw the experimental curve(s). See Drawing the Experimental Curves (p. 45) for details. Specify a name for the material data file that ANSYS POLYMAT creates after it determines the best material parameter values to fit your experimental data. See Specifying a Name for the Material Data File (p. 45) for details. Run the automatic fitting, as described in Performing the Automatic Fitting Analysis (p. 46).

2.

3. 4. 5.

6.

To specify the type of flow you are modeling, choose the Select Fluid Model menu item in the toplevel ANSYS POLYMAT menu. Select Fluid Model In the resulting menu, you can choose isothermal or non-isothermal generalized Newtonian, differential viscoelastic, or integral viscoelastic flow. Select Upper level menu when you are done. If you plan to perform fitting for the temperature dependence of the viscosity in a non-isothermal flow, note that you will need to supply several experimental data curves at different temperatures.

42

Automatic Fitting

In some cases, you may want to fix the values of some of the material parameters so that they do not vary during the fitting calculation. For example, the value of a parameter may be fixed due to physical requirements. The reference temperature for the Arrhenius law is a parameter that is commonly fixed. Once you have specified the type of fluid model you want to fit (as described in Selecting the Type of Fluid Model (p. 42)), follow the steps below to fix the values of any material parameters that you want to keep constant during the fitting calculation. See Material Data Parameters (p. 47) for details about the material parameters for different viscosity models. 1. Select Material Data in the top-level ANSYS POLYMAT menu. Material Data 2. 3. 4. 5. Click the Fix menu button near the top of the ANSYS POLYMAT application window. ANSYS POLYMAT will inform you that fixing is enabled, and the Fix menu button will remain highlighted. Select the menu item for the material property for which you want to fix the value of one or more parameters (e.g., Shear-rate dependence of viscosity). Choose the desired law (e.g., Bird-Carreau law). Select the parameter to be fixed (e.g., Modify fac), and enter the value.

Important

You will need to select the parameter even if you plan to keep the default value. By default, the value will not be fixed; you need to tell ANSYS POLYMAT that it is a fixed value, and this is done in the menu that appears after you have specified the value. 6. 7. 8. 9. Select the appropriate menu item to indicate that you are setting a fixed value for the parameter (e.g., fac is a fixed value). Select Upper level menu. Repeat the previous three steps to define fixed values for any other parameters that you do not want to be varied during the fitting calculation. When you have fixed values for all of the appropriate material parameters, click Upper level menu twice to return to the Material Data menu.

10. If relevant, click the menu item for the next material property for which you want to fix the value of one or more parameters (e.g., Temperature dependence of viscosity), and follow the same procedure for selecting the desired law and setting the related fixed values. 11. Click the Fix menu button again to disable the fixing of values. ANSYS POLYMAT will inform you that fixing is disabled, and the Fix menu button will no longer be highlighted. 12. (optional) Specify values for any other relevant properties (e.g., Density or Thermal conductivity). Note that these values will have no effect on the fitting procedure, but setting them will allow you to save a material data file containing a full description of the fluid model. 13. Select Upper level menu to return to the top-level ANSYS POLYMAT menu.

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Next you will need to set some parameters that will be used by ANSYS POLYMAT when it calculates the curve(s) during the fitting process. To access the Numerical Options for Fitting menu, click the Numerical options for fitting menu item in the Automatic Fitting menu. (You can enter the Automatic Fitting menu by clicking Automatic fitting in the top-level ANSYS POLYMAT menu.) In the Numerical options for fitting menu, you can specify the range of shear rates, and several other parameters, as described below. To return to the default settings for all parameters at any time, click Reset default options. Range of relaxation times: If you want to compare rheological curves obtained for a viscoelastic flow, you will need to specify the minimum and maximum values of the relaxation time for the curves so that they will all be consistent. To set these values, click Modify the range of relaxation times in the Numerical Options for Fitting menu. Modify the range of relaxation times Window of shear rates: If you want to compare rheological curves obtained for a steady shear flow, you will need to specify the minimum and maximum values of shear rate for the curves so that they will all be consistent. To set these values, click Modify the window of shear rates in the Numerical Options for Fitting menu. Modify the window of shear rates Window of frequencies: If you want to compare rheological curves obtained for an oscillatory shear flow, you will need to specify the minimum and maximum frequencies for the curves so that they will all be consistent. To set these values, click Modify the window of frequencies in the Numerical Options for Fitting menu. Modify the window of frequencies Window of times: If you want to compare rheological curves obtained for a transient flow, you will need to specify the minimum and maximum values of time for the curves so that they will all be consistent. To set these values, click Modify the window of times in the Numerical Options for Fitting menu. Modify the window of times Weighting for shear viscosity curves: The weighting allows you to assign more importance to one or more curves compared to the others. For example, in the fitting of a viscoelastic model, if you are not interested in fitting the shear viscosity, you should set the weighting for the shear viscosity curves to a much lower value than for the others. To set the weighting for the shear viscosity curves, click Modify the weight of shear viscosity curves in the Numerical Options for Fitting menu. Modify the weight of shear viscosity curves Weighting for the storage and loss modulus curves: The weighting allows you to assign more importance to one or more curves compared to the others. To set the weighting for the storage and loss modulus curves, click Modify the weight of G and G" curves in the Numerical Options for Fitting menu. Modify the weight of G and G" curves

44

Automatic Fitting Weighting for extensional viscosity curves: The weighting allows you to assign more importance to one or more curves compared to the others. For example, in the fitting of a viscoelastic model for a flow that is mainly extensional (e.g., fiber spinning), the fitting of the extensional viscosity needs to be better than the fitting for the others, so you should set the weighting for the extensional viscosity curves to a higher value than for the others. To set the weighting for the extensional viscosity curves, click Modify the weight of extensional visc. curves in the Numerical Options for Fitting menu. Modify the weight of extensional visc. curves Weighting for the first normal stress difference curves: The weighting allows you to assign more importance to one or more curves compared to others. To set weighting for the first normal stress difference curves, click Modify the weight of N1 curves in the Numerical Options for Fitting menu. Modify the weight of N1 curves Maximum number of iterations: In general, 50 iterations (the default) are enough to get converged results. However, sometimes more iterations are needed, especially for fitting viscoelastic models. Select Modify the max. number of iterations item in the Numerical Options for Fitting menu to modify the default value. Modify the max. number of iterations Activation of fitting of relaxation times: By default, relaxation times are not fit. Rather, they are distributed at a regular interval in the range specified (in a logarithmic scale) via the Modify the range of relaxation times option. However, it is possible to optimize the distribution of the relaxation times to obtain a better fit. When this option is activated, the fitting becomes more complex, and it is often necessary to increase the maximum number of iterations. Moreover, the CPU time to get a converged solution is significantly increased. Select Activate fitting of relaxation times item in the Numerical Options for Fitting menu to enable the fitting of the relaxation times. Activate fitting of relaxation times

To draw the experimental data curves in the chart, click Draw experimental curves in the Automatic Fitting menu in ANSYS POLYMAT. Draw experimental curves See The Curve Settings (p. 23) for information about changing the appearance of the curves.

Before you run the automatic fitting, you need to provide a name for the file where ANSYS POLYMAT will save the results of the fitting calculation. You can read this material data file into ANSYS POLYDATA when you are setting up the flow simulation, or read it into a later ANSYS POLYMAT session to examine the curves again or perform further fitting. To define the filename for the material data file, click Enter the name of the result file in the Automatic Fitting menu.

45

Chapter 5: Fitting Material Parameters Enter the name of the result file

When you have completed the setup of your fitting problem, you can click the Run fitting ... menu item in the Automatic Fitting menu to begin the fitting calculation. Run fitting ... ANSYS POLYMAT will automatically compute curves corresponding to all of the specified experimental data curves. When the automatic fitting calculation is complete, ANSYS POLYMAT will save the results to the file you specified in Specifying a Name for the Material Data File (p. 45). When the calculation is complete, ANSYS POLYMAT will automatically update the chart with the computed curve(s) and the experimental curve(s). The steady shear viscosity, storage and loss moduli, and the rest normal stress difference will be plotted on the same log-log graph. A second plot will display the extensional viscosity curve(s), using a logarithmic scale on the y-axis (to represent the viscosity) and a linear scale on the xaxis (to represent time). See The Curve Settings (p. 23) for information about changing the appearance of the curves. If you do not want ANSYS POLYMAT to update the curves in the chart automatically, click Do not update graphics after each run in the Automatic Fitting menu before you run the fitting calculation. If you want to plot curves other than those that were directly calculated, you can read the material data file into ANSYS POLYMAT and use the Rheometry menu button near the top of the ANSYS POLYMAT application window to specify additional curves to be plotted. (See Specifying the Curves to be Calculated (p. 38) for details, then use the Draw menu button to update the chart. In an automatic fitting for a viscoelastic model, steady shear viscosity, storage modulus, and loss modulus are the mandatory curves whereas, first normal stress difference and extensional viscosity are the optional curves. For a generalized Newtonian model, the steady shear viscosity is a mandatory curve. After an automatic fitting, it is possible to pursue fitting, if necessary. Select the Pursue fitting ... menu item in the Automatic Fitting menu. Pursue fitting ... This option is available after at least one fitting. Fitting is continued with the values of the parameters of the initialized model using the values obtained at the previous fitting step. The fixed parameters will not change. You do not have to change any flag associated to the parameter in Material data menus, ANSYS POLYMAT automatically makes these changes. You can check how the fitting has been performed using the View listing of fitting menu. View listing of fitting When you click the View listing of fitting option, a new window appears, presenting a summary of the last fitting run.

46

This chapter describes the fluid models available in ANSYS POLYMAT, including details about the related material data parameters for each. 6.1. Overview of Fluid Properties and Flow Characteristics 6.2. Generalized Newtonian Flow 6.3. Differential Viscoelastic Flow 6.4. Integral Viscoelastic Flow 6.5. Simplified Viscoelastic Model

The proper selection of a fluid model is one of the most important aspects in the simulation of a flow. You need to always consider both the fluid and the flow; a particular constitutive equation is valid for a given fluid in a given flow. To determine an appropriate model for your problem, you need to first collect as much data as possible about the fluid properties. Typical information includes the following: Steady viscometric properties (shear viscosity and first normal-stress difference ). These data characterize the fluid in the presence of large deformations. Oscillatory viscometric properties (storage and loss moduli and ), also known as linear viscoelastic data because they correspond to small deformations. Elongational viscosity. Although obtaining data on elongation is difficult and not very frequent, knowledge of the elongational viscosity is essential in choosing the appropriate constitutive equation and estimating the values of the various parameters.

These data are not enough to evaluate the relevance of viscoelasticity in a given process. It is also necessary to characterize the flow itself and compare a characteristic time of the material to a characteristic time of the flow. In many situations, the flow can be characterized by a critical shear rate, which can be understood as a wall shear rate in a region of high gradients. For example, in a fiber-spinning process, a critical shear rate will occur at the wall in the vicinity of the die exit. In a contraction or expansion flow (e.g., Figure 6.1 (p. 48)), consider the shear rate in the narrow section.

47

(61)

where is a typical distance. In an axisymmetric flow (Figure 6.1 (p. 48) b),

=

(62)

where is a typical radius. You also need to determine the elastic level of the fluid. This can be accomplished by evaluation of the fluids characteristic relaxation time. When the oscillatory functions and are available, their intersection (occurring at a shear rate = , as shown in Figure 6.2 (p. 49)) is often a reasonable choice for selecting a typical relaxation time. Indeed, flows characterized by a typical shear rate lower than ! " are essentially dominated by viscous forces, while viscoelastic effects may play an important role in flows characterized by a shear rate higher than # $.

Note that, due to the technological limitations of some rheometry equipment, it is not always possible to obtain viscoelastic data in the range of shear rates (or frequencies) where the process operates. In this case, your only option is to extrapolate experimental data for higher shear rates or frequencies. The selection of a particular model for such a case will be more qualitative.

48

=

A typical dimensionless number used to estimate the viscoelastic character of a flow is the Weissenberg number , which is the product of the relaxation time and a typical shear rate :

(63)

When is low, generalized Newtonian models are sufficient to describe the flow; only at higher values are viscoelastic models required to characterize memory effects. of Note that the Weissenberg number is probably not the best indicator for viscoelastic models with several relaxation times or if there is shear thinning in the flow. In such cases, a useful dimensionless number is the recoverable shear , defined as the ratio of the first normal-stress difference to twice the steady shear stress :

(64)

The recoverable shear gives the level of elasticity of a flow: if flow is important, and a viscoelastic model is required.

'(

This section describes the following topics:

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49

Chapter 6: Material Data Parameters 6.2.1. Introduction 6.2.2. Shear-Rate Dependence of Viscosity 6.2.3.Temperature Dependence of Viscosity

6.2.1. Introduction

6.2.1.1. Equations

For a generalized Newtonian fluid, the constitutive equation has the form

(65)

where is the extra-stress tensor, is the rate-of-deformation tensor, and is the viscosity, which can depend upon both the second invariant of and the temperature . The general form for the viscosity is written as

=

and

(66)

represent the shear-rate and temperature

where is the local shear rate. Thus, dependence of the viscosity, respectively.

6.2.1.2. Inputs

To specify the function , you will click the Shear-rate dependence of viscosity menu item in the Material Data menu Shear-rate dependence of viscosity and to specify the function , you will click the Temperature dependence of viscosity menu item. Temperature dependence of viscosity See Non-Automatic Fitting (p. 37) and Automatic Fitting (p. 42) for information about where and how the material data specification occurs in the non-automatic and automatic fitting procedures, respectively. See Shear-Rate Dependence of Viscosity (p. 50) and Temperature Dependence of Viscosity (p. 62) for details about the parameters and characteristics of each fluid model.

There are currently 10 laws available for , plus the default constant value.

6.2.2.1. Constant

For Newtonian fluids, a constant viscosity

50

=

value is 1.

(67)

is the default setting. is referred to as the Newtonian or zero-shear-rate viscosity, and its default The units for and its name in the ANSYS POLYMAT interface are as follows: Parameter Name in ANSYS POLYMAT fac Mass 1 Length 1 . Time 1

The Bird-Carreau law for viscosity is

= +

where

+

(68)

= infinite-shear-rate viscosity ! = zero-shear-rate viscosity " = natural time (i.e., inverse of the shear rate at which the fluid changes from Newtonian to

power-law behavior)

# = power-law index

The units for the parameters and their names in the ANSYS POLYMAT interface are as follows:

51

Chapter 6: Material Data Parameters Parameter Name in ANSYS POLYMAT fac facinf tnat expo Mass 1 1 Length 1 1 Time 1 1 1

By default, and are equal to 1, and and are equal to 0. Figure 6.4 (p. 52) shows a plot of a for the Bird-Carreau law.

The Bird-Carreau law is commonly used when it is necessary to describe the low-shear-rate behavior of the viscosity. It differs from the Cross law primarily in the curvature of the viscosity curve in the vicinity of the transition between the plateau zone and the power law behavior.

The power law for viscosity is

=

where is the consistency factor, is the natural time, and of a given material.

(69)

is the power-law index, which is a property

The units for the parameters and their names in the ANSYS POLYMAT interface are as follows:

52

Generalized Newtonian Flow Parameter Name in ANSYS POLYMAT fac tnat expo Mass 1 Length 1 Time 1 1

By default, , , and are equal to 1. Figure 6.5 (p. 53) shows a plot of

The power law is commonly used to describe the viscous behavior of polymeric materials, such as polyethylene, with shear rates greater than 2 or 3 decades. If the behavior at low shear rates needs to be fitted as well, the Bird-Carreau or Cross law will capture the plateau zone of the viscosity curve for low shear rates better than the power law.

The Bingham law for viscosity is

+ = +

(610)

<

where is the yield stress and ! is the critical shear rate, beyond which Binghams constitutive equation is applied. For shear rates less than " #, the behavior of the fluid is normalized in order to guarantee appropriate continuity properties in the viscosity curve. The units for the parameters and their names in the ANSYS POLYMAT interface are as follows:

53

Chapter 6: Material Data Parameters Parameter Name in ANSYS POLYMAT fac ystr gcrit Mass 1 1 Length 1 1 Time 1 2 1 for the Bingham law.

By default, , , and are equal to 1. Figure 6.6 (p. 54) shows a plot of

The Bingham law is commonly used to describe materials such as concrete, mud, dough, and toothpaste, for which a constant viscosity after a critical shear stress is a reasonable assumption, typically at rather low shear rates.

A modified Bingham law for viscosity is also available:

= +

where =

(611)

!.

The units for the parameters and their names in the ANSYS POLYMAT interface are as follows:

54

Generalized Newtonian Flow Parameter Name in ANSYS POLYMAT fac ystr gcrit Mass 1 1 Length 1 1 Time 1 2 1 for the modified

By default, , , and are equal to 1. Figure 6.7 (p. 55) shows a plot of Bingham law.

Compared to the standard Bingham law, the modified Bingham law is an analytic expression, which means that it may be easier for ANSYS POLYFLOW to calculate, leading to a more stable solution. The value = has been selected so that the standard and modified Bingham laws exhibit the same behavior above the critical shear rate, .

The Herschel-Bulkley law for viscosity is

= '

) & ) &0 !$

%( ' +" ! ! !$

! >!$

(612)

+"

# + #

! !$

! !$

where 1 2 is the yield stress, 3 4 is the critical shear rate, 5 is the consistency factor, and 6 is the powerlaw index.

55

Chapter 6: Material Data Parameters The units for the parameters and their names in the ANSYS POLYMAT interface are as follows: Parameter

Mass 1 1

Length 1 1

Time 2 1 1 1

By default, , , , and are equal to 1. Figure 6.8 (p. 56) shows a plot of Bulkley law.

Like the Bingham law, the Herschel-Bulkley law is commonly used to describe materials such as concrete, mud, dough, and toothpaste, for which a constant viscosity after a critical shear stress is a reasonable assumption. In addition to the transition behavior between a flow and no-flow regime, the HerschelBulkley law exhibits a shear-thinning behavior that the Bingham law does not.

A modified Herschel-Bulkley law is also available:

56

(613)

The units for the parameters and their names in the ANSYS POLYMAT interface are as follows: Parameter Name in ANSYS POLYMAT fac1 fac2 gcrit expo Mass 1 1 Length 1 1 Time 2 1 1 1

By default, ,

Herschel-Bulkley law.

, ! ", and # are equal to 1. Figure 6.9 (p. 57) shows a plot of $

Compared to the standard Herschel-Bulkley law, the modified Herschel-Bulkley law is an analytic expression, which means that it may be easier for ANSYS POLYFLOW to calculate, leading to a more stable solution. The integer value 3 that appears in the argument of the exponential term has been selected

57

Chapter 6: Material Data Parameters so that the standard and modified Herschel-Bulkley laws exhibit the same behavior above the critical shear rate, .

The Cross law for viscosity is

(614)

where

= zero-shear-rate viscosity = natural time (i.e., inverse of the shear rate at which the fluid changes from Newtonian to power-law behavior) = Cross-law index (= 1 for large shear rates)

The units for the parameters and their names in the ANSYS POLYMAT interface are as follows: Parameter

Mass 1

Length 1

Time 2 1

By default, is equal to 1, and and are equal to 0. Figure 6.10 (p. 58) shows a plot of the Cross law.

for

Like the Bird-Carreau law, the Cross law is commonly used when it is necessary to describe the lowshear-rate behavior of the viscosity. It differs from the Bird-Carreau law primarily in the curvature of the viscosity curve in the vicinity of the transition between the plateau zone and the power law behavior.

A modified Cross law for viscosity is also available: 58

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(615)

The units for the parameters and their names in the ANSYS POLYMAT interface are as follows: Parameter Name in ANSYS POLYMAT fac tnat expom Mass 1 Length 1 Time 2 1

By default, is equal to 1, and and are equal to 0. Figure 6.11 (p. 59) shows a plot of the Cross law.

for

This law can be considered a special case of the Carreau-Yasuda viscosity law (Equation 617 (p. 61)), where the exponent has a value of 1.

The log-log law for viscosity is

=

(616)

where 34 is the zero-shear-rate viscosity and 56, 78, and 9@@ are the coefficients of the polynomial expression. The units for the parameters and their names in the ANSYS POLYMAT interface are as follows:

59

Chapter 6: Material Data Parameters Parameter Name in ANSYS POLYMAT a0 a1 a11 fac gcrit Mass 1 Length 1 Time 1 1

By default, and are equal to 1, and , , and are equal to 0. Figure 6.12 (p. 60) shows a plot ! for the log-log law. of

This viscosity law is purely empirical, but sometimes provides a better fit to experimental data than the others. Nevertheless, you should pay special attention to the coefficients you specify for the log-log law, as detailed below.

" # ) space. Depending on the values of the polynoThe function is a parabola in the ( mial coefficients, the viscosity may decrease as the shear rate approaches zero, which does not reflect physical behavior. Moreover, for high shear rates, the slope of the curve may be less than 1, which is also not physical. When you are using the log-log law, you must therefore ensure that the range of shear rates in your application lies within the range of physically-acceptable shear rates for the law. This is accomplished by careful specification of the polynomial coefficients.

60

Important

Note that, for non-isothermal flows using the log-log law, the mixed-dependence law (described in Mixed-Dependence Law (p. 73)) must be used for the thermal dependence of the viscosity.

The Carreau-Yasuda law for viscosity is

= +

where

(617)

power-law behavior)

= natural time (i.e., inverse of the shear rate at which the fluid changes from Newtonian to = index that controls the transition from the Newtonian plateau to the power-law region = power-law index

The units for the parameters and their names in the ANSYS POLYMAT interface are as follows: Parameter Name in ANSYS POLYMAT fac facinf tnat expo expoa Mass 1 1 Length 1 1 Time 1 1 1

By default, , !, and " are equal to 1, and # and $ are equal to 0. Figure 6.13 (p. 62) shows a plot of

61

The Carreau-Yasuda law is a slight variation on the Bird-Carreau law (Equation 68 (p. 51)). The addition of the exponent allows for control of the transition from the Newtonian plateau to the power-law region. A low value (<1) lengthens the transition, and a high value (>1) results in an abrupt transition.

As discussed in Introduction (p. 50), the general form for the viscosity can be written as the product of functions of shear rate and temperature. There are actually three ways in which this relationship can be expressed:

(618)

(619)

where spectively.

(620)

and ! "

In Equation 618 (p. 62), the temperature scales the viscosity so there is only a vertical shift on the model curves # $ % vs. temperature. Four of the temperature-dependent viscosity laws follow this format: 62 Arrhenius approximate law Arrhenius law

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In Equation 619 (p. 62), the time-temperature equivalence is introduced by also scaling the shear rate by temperature. Thus, there is a horizontal shift in addition to the vertical shift on the model curves vs. temperature. Three of the temperature-dependent viscosity laws follow this format: Arrhenius approximate shear-stress law Arrhenius shear-stress law WLF shear-stress law

The final form of the viscosity definition, Equation 620 (p. 62), corresponds to the mixed-dependence law. By default, there is no temperature dependence of the viscosity (i.e.,

= ).

The Arrhenius law is given as

(621)

where is the ratio of the activation energy to the perfect gas constant and is a reference temperature for which = . The temperature shift must be specified when a non-absolute temperature scale is used. It corresponds to the lowest temperature that is thermodynamically acceptable, given with respect to the current temperature scale. Typically, if you use Kelvin as the temperature unit, = . If you use Celsius, = . The units for the parameters and their names in the ANSYS POLYMAT interface are as follows: Parameter Name in ANSYS POLYMAT alfa talfa t0 Mass Length Time Temperature 1 1 1

! "# $%

Important

Note that & for the Arrhenius model is not the same as ' for the approximate Arrhenius law; they have different units. By default, (, )0, and 12 are equal to 0. Figure 6.14 (p. 64) shows a plot of 3 4 law. for the Arrhenius

63

The approximate Arrhenius law is obtained as the first-order Taylor expansion of the Arrhenius law (Equation 621 (p. 63)):

(622)

where is the first-order coefficient of the Taylor expansion and is a reference temperature. The behavior described by Equation 622 (p. 64) is similar to that described by Equation 621 (p. 63) in the is not neighborhood of . Equation 622 (p. 64) is valid as long as the temperature difference too large.

The units for the parameters and their names in the ANSYS POLYMAT interface are as follows:

Parameter

Mass

Length

Time

Temperature 1 1

Important

Note that for the approximate Arrhenius model is not the same as they have different units. By default, and Arrhenius law.

) for the approximate

64

The Arrhenius shear-stress law is defined by the same equation as the Arrhenius law (Equation 621 (p. 63)), but differs in that a time-temperature equivalence has been introduced, as indicated by Equation 619 (p. 62). When the temperature increases, the viscosity curve shifts downward and to the right. Figure 6.16 (p. 65) demonstrates this by showing the Bird- Carreau viscosity curve at several temperatures using the Arrhenius shear-stress law for temperature dependence.

The units, default values, and names for the parameters in the ANSYS POLYMAT interface are the same as for the Arrhenius law, described above.

65

The approximate Arrhenius shear-stress law is defined by the same equation as the approximate Arrhenius law (Equation 622 (p. 64) ), but differs in that a time-temperature equivalence has been introduced, as indicated by Equation 619 (p. 62). When the temperature increases, the viscosity curve shifts downward and to the right. Figure 6.17 (p. 66) demonstrates this by showing the Bird-Carreau viscosity curve at several temperatures using the approximate Arrhenius shear-stress law for temperature dependence.

The units, default values, and names for the parameters in the ANSYS POLYMAT interface are the same as for the approximate Arrhenius law, described above.

Another definition for

where

(623)

, , and are the Fulcher constants. The Fulcher law is used mainly for glass.

Name in ANSYS POLYMAT F1 Mass Length Time Temperature

The units for the parameters and their names in the ANSYS POLYMAT interface are as follows: Parameter

66

, ,

Mass

Length

Time

Temperature 1 1

By default,

and

are equal to 0. Figure 6.18 (p. 67) how the impact of each parameter on the

increases. For

,

the behavior is

;

" . #

if

is greater than the fixed temperature, the viscosity decreases with an increase in

67

68

Figure 6.20 Effect of Increasing f3 (Less Than Fixed Temperature) on the Fulcher Law for Viscosity

69

Figure 6.21 Effect of Increasing f3 (Greater Than Fixed Temperature) on the Fulcher Law for Viscosity

The Williams-Landel-Ferry (WLF) equation is a temperature-dependent viscosity law that fits experimental data better than the Arrhenius law for a wide range of temperatures, especially close to the glass transition temperature:

where

+ +

(624)

and are the WLF constants, and and are reference temperatures.

Name in ANSYS POLYMAT c1 c2 Ta Tr-Ta Mass Length Time Temperature 1 1 1 1

The units for the parameters and their names in the ANSYS POLYMAT interface are as follows: Parameter

!" !#

Figure 6.22 (p. 71) and Figure 6.23 (p. 71) show the impact of each parameter on the viscosity curves. The viscosity drops if increases; the opposite occurs if , , or increases.

$%

&' () 01 02

70

71

The WLF law described above is based on shear rate. As for the Arrhenius law, there is also a version of the WLF law based on shear stress. In this version, the viscosity is computed from Equation 619 (p. 62), with computed from the WLF law, Equation 624 (p. 70). As for the Arrhenius shear-stress law, an increase in temperature will result in a shifting of the viscosity curve downward and to the right. This is illustrated in Figure 6.24 (p. 72) and Figure 6.25 (p. 73).

72

The units, default values, and names for the parameters in the ANSYS POLYMAT interface are the same as for the WLF law, described above.

For the mixed-dependence law (which can be used only in conjunction with the log-log law for shearrate dependence, described in Log-Log Law (p. 59)), the function is written in the form of Equation 620 (p. 62), where is computed from the log-log law (Equation 616 (p. 59)) and

+ +

(625)

In this equation, , !"", and #$% are the coefficients of the polynomial expression, and &' is the temperature shift; it must be specified when a non-absolute temperature scale is used. It corresponds to the lowest temperature that is thermodynamically acceptable, given with respect to the current temperature scale. Typically, if the units for temperature are Kelvin, () will be 0; if the units for temperature are Celsius, 01 will be 273.15. The units for the parameters and their names in the ANSYS POLYMAT interface are as follows: Parameter Name in ANSYS POLYMAT a2 a22 a12 Mass Length Time Temperature 1 2 1

23 455 678

73

Chapter 6: Material Data Parameters Parameter Name in ANSYS POLYMAT T0 Mass Length Time Temperature 1

By default, , , and are equal to 0. Figure 6.26 (p. 74) and Figure 6.27 (p. 75) show the impact of each parameter on the viscosity curves. The viscosity increases when either or increases. For , there is a rotation of the viscosity curves around a point when the value is changed.

Figure 6.26 Effect of Increasing a2 or a22 on the Mixed-Dependence Law for Viscosity

74

Figure 6.27 Effect of Increasing a12 on the Mixed-Dependence Law for Viscosity

Depending on the values of the parameters, there may be a decrease in viscosity when the shear rate approaches zero (as shown in Figure 6.27 (p. 75)). This does not reflect physical behavior. Moreover, for high shear rates, the slope of the curve may be less than 1, which is also not physical. For the mixeddependence law to be valid, the range of useful shear rates must lie between these two intervals.

This section describes the following topics: 6.3.1. Introduction 6.3.2. Differential Viscoelastic Models 6.3.3.Temperature Dependence of Viscosity 6.3.4. Multiple Relaxation Times for Differential Viscoelastic Flows

6.3.1. Introduction

The differential approach to modeling viscoelastic flow is appropriate for most practical applications. Many of the most common numerical models for viscoelastic flow are provided in ANSYS POLYMAT, including Maxwell, Oldroyd, Phan-Thien-Tanner, Giesekus, FENE-P, POM-POM, and Leonov. Appropriate choices for the viscoelastic model and related parameters can yield qualitatively and quantitatively accurate representations of viscoelastic behavior. Improved accuracy is possible if you use multiple relaxation times to better fit the viscoelastic behavior at different shear rates. If required, you can even use different viscoelastic models for the different relaxation times, although this has a very limited physical basis.

6.3.1.1. Equations

For a differential viscoelastic flow, the constitutive equation for the extra-stress tensor is

75

= +

(626)

(the viscoelastic component) is computed differently for each type of viscoelastic model. (the purely-viscous component) is an optional component, which is always computed from =

(627)

is the rate-of-deformation tensor and is the viscosity factor for the Newtonian (i.e., purelyviscous) component of the extra-stress tensor. The viscosity ratio is defined as . The relationship where of and to is expressed by

(628)

and

! = "# ! $

(629)

When a multi-mode viscoelastic model is used, the purely-viscous component of the extra-stress tensor is defined through the first mode only.

6.3.1.2. Inputs

To specify the viscosity model for a differential viscoelastic flow, you will click the Differential viscoelastic models menu item in the Material Data menu Differential viscoelastic models and then choose 1-st viscoelastic model. 1-st viscoelastic model If you want to specify different parameters for different relaxation times, click Addition of a viscoelastic model. To specify the temperature dependence of viscosity for a differential viscoelastic flow, you will click the Temperature dependence of viscosity menu item. Temperature dependence of viscosity See Non-Automatic Fitting (p. 37) and Automatic Fitting (p. 42) for information about where and how the material data specification occurs in the non-automatic and automatic fitting procedures, respectively. See Differential Viscoelastic Models (p. 77) and Temperature Dependence of Viscosity (p. 118) for details about the parameters and characteristics of each fluid model.

76

There are currently nine differential viscosity models: Upper-convected Maxwell and Oldroyd-B models: These are the simplest viscoelastic constitutive equations, although in many situations they are the most numerically cumbersome for ANSYS POLYFLOW. Both models exhibit a constant viscosity and a quadratic first normal-stress difference. They should be selected either when very little information is know about the fluid, or when a qualitative prediction is sufficient. For fluids exhibiting a very high extensional viscosity, the Oldroyd-B model is preferred over the upper-convected Maxwell model. White-Metzner model: Most fluids are characterized by shear thinning and a non-quadratic first normalstress difference. With the White-Metzner model, it is possible to reproduce such viscometric features. Several functions for the shear-rate dependence of the viscosity and the relaxation time are available. When experimental data are available for the shear viscosity and the first normal-stress difference, the material parameters for the White-Metzner model can be obtained easily by curve fitting: first the shear viscosity is defined and fitted, and then the function for the relaxation time can be selected and fitted on the basis of the first normal-stress difference in a simple shear flow. Despite its interesting features from a viscometric point of view, the White-Metzner model may exhibit strange numerical behavior at high shear rates, leading to spurious oscillations in the ANSYS POLYFLOW solution. Phan-Thien-Tanner (PTT), Johnson-Segalman, and Giesekus models: These models are the most realistic. In particular, they exhibit shear thinning and a non-quadratic first normal-stress difference at high shear rates. These properties are controlled by their respective material parameters (, , and ), as described in the model description below. Also, the selection of non-zero values for and will lead to a bounded steady extensional viscosity. For stability reasons, however, a purely-viscous component must be added to the extra-stress tensor in simple shear flow. This is true for the Johnson-Segalman and PTT models when is non-zero, and for the Giesekus model when >0.5. The addition of a purely-viscous component to the extrastress tensor affects the viscosity, but not the first normal-stress difference. Shear thinning is still present, but the viscosity curve also shows a plateau zone at high shear rates. Poor control of the shear viscosity is the usual drawback of the Johnson-Segalman and PTT models used with a single relaxation time, especially toward high shear rates.

Important

Note that you cannot explicitly select the Johnson-Segalman model in the ANSYS POLYMAT interface. It is obtained by selecting the PTT model and setting the value of to 0. FENE-P (Finitely Extensible Non-Linear Elastic Dumbbells Peterlin) model: This model is derived from molecular theories and is based on the assumption that the material behaves as a series of dumbbells linked together by springs. Unlike the Maxwell model, springs can have only a finite extension, so the energy of deformation of the dumbbell becomes infinite for a finite value of the spring elongation. The FENE-P model requires only four parameters (, , , and the length ratio for the spring), yet it predicts a realistic shear thinning of the fluid and a first normal-stress difference that is quadratic for low shear rates and has a lower slope for high shear rates. It has been observed in practice that

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77

Chapter 6: Material Data Parameters viscometric properties of several fluids can often be accurately modeled. The FENE-P model is well suited for simulating the rheological behavior of dilute solutions. POM-POM model: The pom-pom molecule consists of a backbone to which arms are connected at both extremities. In a flow, the backbone may orient in a Doi-Edwards reptation tube consisting of the neighboring molecules, while the arms may retract into that tube. The concept of the pom-pom macromolecule makes the model suitable for describing the behavior of branched polymers. The approximate differential form of the model is based on the equations of macromolecular orientation and macromolecular stretching in connection with changes in orientation. In this construction, the pom-pom molecule is allowed only a finite extension, which is controlled by the number of dangling arms. In particular, the strain hardening properties are dictated by the number of arms. Beyond that, the model predicts realistic shear thinning behavior, as well as a first and a possible second normal stress difference. Leonov model: This model has been developed for the simultaneous prediction of the behavior of trapped and free macromolecular chains for filled elastomers with carbon black and/or silicate. From the point of view of morphology, macromolecules at rest are trapped by particles of carbon black, via electrostatic van der Waals forces. Under a deformation field, electrostatic bonds can break, and macromolecules become free, while a reverse mechanism may develop when the deformation ceases. One can thus be facing a macromolecular system consisting of trapped and free macromolecules, with a reversible transition from one state to the other one. This model involves actually two tensor quantities and a scalar one. The tensors focus respectively on the behavior of the free and trapped macromolecular chains of the elastomer, while the scalar quantity quantifies the degree of structural damage (debonding factor). The model exhibits a yielding behavior. It is intrinsically non-linear, as the non-linear response develops and is observable at early deformations. Details about each model are provided below.

The Maxwell model is one of the simplest viscoelastic constitutive equations. It exhibits a constant viscosity and a quadratic first normal-stress difference. Due to its simplicity, it is recommended only when little information about the fluid is available, or when a qualitative prediction is sufficient. Even in this case, the Oldroyd-B model, which can include a purely-viscous component, is preferable for numerical reasons.

6.3.2.1.1. Equations

For the upper-convected Maxwell model, the purely-viscous component of the extra-stress tensor ( ) is equal to zero. The viscoelastic component ( ) is computed from

+ =

where is a model-specific relaxation time,

(630)

is the rate-of-deformation tensor, and is a model-

specific viscosity factor for the viscoelastic component of . The relaxation time is defined as the time required for the shear stress to be reduced to half of its original equilibrium value when the strain rate vanishes. A high relaxation time indicates that the memory retention of the flow is high. A low relaxation time indicates significant memory loss, gradually approaching Newtonian flow (zero relaxation time).

78

6.3.2.1.2. Inputs

The units for the parameters and their names in the ANSYS POLYMAT interface are as follows: Parameter Name in ANSYS POLYMAT visc trelax Mass 1 1 Length 1 1 Time 1 1 2 1

Figure 6.28 (p. 79) shows the viscometric functions of the upper-convected Maxwell model in a simple shear flow. In this example (where =1s and =1000 Pa-s), is constant, is linear, is quadratic,

Figure 6.28 Upper-Convected Maxwell Model for a Shear Flow

Figure 6.29 (p. 80) shows the behavior of the upper-convected Maxwell model in a simple extensional flow.

79

In this example (where =1 s and =1000 Pa-s), , , and are unbounded for =

, and

" != $ &' % = ) 12 0 =

= =

#

= $( = )3

Figure 6.30 (p. 81) shows the behavior of the upper-convected Maxwell model in a transient shear flow.

80

In this example (where =1s, =1000Pa-s, and = s-1 ), there is no stress overshoot and the transient phase depends upon the relaxation time.

The Oldroyd-B model is, like the Maxwell model, one of the simplest viscoelastic constitutive equations. It is slightly better than the Maxwell model, because it allows for the inclusion of the purely-viscous component of the extra stress, which leads to better behavior of the numerical scheme. Oldroyd-B is a good choice for fluids that exhibit a very high extensional viscosity.

6.3.2.2.1. Equations

For the Oldroyd-B model, is computed from Equation 630 (p. 78), and is computed (optionally) from Equation 627 (p. 76). in Equation 630 (p. 78), and in Equation 627 (p. 76) are partial shear

viscosities. ANSYS POLYMAT uses Equation 628 (p. 76) and Equation 629 (p. 76) to compute the value of , based on a specified value for the viscosity ratio, .

6.3.2.2.2. Inputs

The units for the parameters and their names in the ANSYS POLYMAT interface are as follows: Parameter Name in ANSYS POLYMAT visc Mass 1 Length 1 Time 1

81

Chapter 6: Material Data Parameters Parameter Name in ANSYS POLYMAT trelax ratio Mass 1 Length 1 Time 1 2 1

By default, and are equal to 1, and the viscosity ratio is equal to 0 (i.e., and are equal to 0).

Figure 6.31 (p. 82) shows the viscometric functions of the Oldroyd-B model in a simple shear flow. In this example, =1s and (with the viscosity ratio equal to 0.15) =850 Pa-s and =150 Pa-s. In the res-

ulting curves, ! is constant, " is linear, #$ is quadratic, %& is zero, '( is constant, )0 is zero, and 12 is linear, showing non-asymptotic behavior. Notice that the curves are moved down in comparison to the upper-convected Maxwell model; this is due to the Newtonian part of the model (non-zero value for 34), which reduces the viscoelastic effects (56, 78, 9@, and A BCD).

Figure 6.32 (p. 83) shows the behavior of the Oldroyd-B model in a transient shear flow. In this example,

E =1s, FG=1000 Pa-s, and HI = s1 . Notice that there is an instantaneous response of the shear stress

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82

Differential Viscoelastic Flow to the applied shear rate; this is due to the Newtonian part of the model. Otherwise, the Oldroyd-B model exhibits the same behavior as the upper-convected Maxwell model.

Most fluids are characterized by shear-thinning and non-quadratic first normal-stress difference. With the White-Metzner model, it is possible to reproduce such viscometric features.

6.3.2.3.1. Equations

The White-Metzner model computes from

+ =

(635)

and is computed (optionally) from Equation 627 (p. 76). in Equation 635 (p. 83) and in Equation 627 (p. 76) are partial shear viscosities. The relaxation time ( ) and the viscosity () can be constant or represented by the power law or the Bird-Carreau law for shear-rate dependence. The power-law representation of the total viscosity is

83

(636)

where is the consistency factor, is the power-law index, and is the natural time (i.e., inverse of the shear rate at which the fluid changes from Newtonian to power-law behavior). The Bird-Carreau representation of the viscosity is

=

+

" !

+

(637)

'( and )0 are then computed from Equation 628 (p. 76) and Equation 629 (p. 76), based on a specified value for the viscosity ratio, 12 .

The power-law representation of the relaxation time is

3 = 4 7 57 6 8@ 9

The Bird-Carreau representation of the relaxation time is

(638)

A = AF

GC G + BD

EI H G

(639)

Important

Note that the power-law representation for the relaxation time should be avoided, since it leads to high relaxation times for low shear rates. The Bird-Carreau representation is better, yielding a constant (and bounded) relaxation time at low shear rates.

If you are fitting experimental curves using the White-Metzner model, you will need to do the fitting in two parts: 1. 2. Choose the viscosity function and fit its parameters. See Shear-Rate Dependence of Viscosity (p. 50) for information about the parameters for the function you choose (constant, Bird-Carreau, or power law). Choose the relaxation time function and fit its parameters to the experimental curve for the first normalstress difference. See Shear-Rate Dependence of Viscosity (p. 50) for information about the parameters for the function you choose (constant, Bird-Carreau, or power law). Note that the relaxation time function has no effect on the steady viscosity curves.

84

6.3.2.3.3. Inputs

The units for the White-Metzner parameters and their names in the ANSYS POLYMAT interface are as follows: Parameter Name in ANSYS POLYMAT viscosity function relaxation time function ratio Mass 1 1 Length 1 1 Time 1 1 2 1

By default, and are constant values equal to 1, and the viscosity ratio is equal to 0 (i.e., and are equal to 0).

Figure 6.33 (p. 86) compares the White-Metzner model to the upper-convected Maxwell model for a simple shear flow. In this example, the Bird-Carreau viscosity law is used, with =1000 Pa-s, =10 s,

is 1 s. Notice that !"# and $% are non-constant for large shear rates, & is non-linear, '( is non-quadratic for large shear rates, and )0 and 12 are equal to 0.

85

In transient shear flow, the White-Metzner model is similar in behavior to the upper-convected Maxwell model. The shape of the curves is the same, but the duration of the transient phase depends on the relaxation time function. If this function is constant, the duration to reach the regime situation is the same; if it is not constant, the duration of the transient phase depends upon the relaxation time function. Usually, the relaxation time is a decreasing function of the shear rate, so the duration of the transient phase is reduced for high shear rate. Figure 6.34 (p. 87) shows the viscometric curves for a constant relaxation time and Figure 6.35 (p. 88) shows the curves for a shear-rate-dependent relaxation time. In Figure 6.34 (p. 87), the shear thinning affects the final value of the viscosity and the first normal-stress coefficient. The transient phase is not

86

Differential Viscoelastic Flow affected by the shear rate. In Figure 6.35 (p. 88), there is no shear thinning, so there is no effect on the final value of the viscosity. The first normal stress coefficient is affected by the variation of relaxation time with shear rate. The transient phase is affected by the shear rate.

Figure 6.34 White-Metzner Model for a Transient Shear Flow with Constant Relaxation Time

87

Figure 6.35 White-Metzner Model for a Transient Shear Flow with a Bird-Carreau Relaxation Time

The Phan-Thien-Tanner (PTT) model is one of the most realistic differential viscoelastic models. It exhibits shear thinning and a non-quadratic first normal-stress difference at high shear rates.

6.3.2.4.1. Equations

The PTT model computes from

+

(640)

and is computed (optionally) from Equation 627 (p. 76). in Equation 640 (p. 88) and in Equation 627 (p. 76) are partial shear viscosities. ANSYS POLYMAT uses Equation 628 (p. 76) and Equation 629 (p. 76) to compute the value of , based on a specified value for the viscosity ratio, .

and are material properties that control, respectively, the shear viscosity and elongational behavior. A non-zero value for leads to a bounded steady extensional viscosity.

6.3.2.4.2. Inputs

The units for the parameters and their names in the ANSYS POLYMAT interface are as follows:

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88

Differential Viscoelastic Flow Parameter Name in ANSYS POLYMAT visc trelax ratio eps xi Mass 1 1 Length 1 1 Time 1 1 2 1

By default, and are equal to 1, the viscosity ratio is equal to 0 (i.e., and are equal to 0), and and are also equal to 0. Note that when =0, the PTT model is reduced to the Johnson-Segalman model.

In a simple shear flow (Figure 6.36 (p. 90)), for >0, you can see a shear-thinning effect and a nonquadratic behavior for the first normal-stress difference !. Notice also that, for ">0, the elasticity level #$ remains finite for increasing shear rate (asymptotic behavior).

89

The parameter also affects the extensional viscosities, as shown in Figure 6.37 (p. 91). The steady extensional viscosities are finite, and tend toward the Newtonian component of the extensional viscosity (i.e., they are uniaxial) for large extension rates. For small values of , there is extension thickening and thinning; for large values, there is only extension thinning.

90

Important

If the parameter is not zero, then the viscosity ratio must be at least 1/9, in order to ensure the stability of the shear flow. The slope of the shear stress vs. shear rate curve must be positive everywhere, contrary to what is shown on the left in Figure 6.38 (p. 92) with =0.1.

91

The parameter has almost no effect on extensional viscosity, as shown in Figure 6.39 (p. 93). The maximum of the extensional viscosities decreases when increases.

92

Figure 6.39 Effect of on the PTT Model for a Steady Extensional Flow

In a transient shear flow (Figure 6.40 (p. 94)), a moderate stress overshoot is observed. The stress overshoot increases as shear rate increases. Shear thinning is observed, and the normal stress is non-quadratic. The transient phase is reduced as the shear rate increases.

93

Like the PTT model, the Giesekus model is one of the most realistic differential viscoelastic models. It exhibits shear thinning and a non-quadratic first normal-stress difference at high shear rates.

6.3.2.5.1. Equations

The Giesekus model computes from

+ + =

(641)

and is computed (optionally) from Equation 627 (p. 76). in Equation 641 (p. 94) and in Equation 627 (p. 76) are partial shear viscosities. ANSYS POLYMAT uses Equation 628 (p. 76) and Equation 629 (p. 76) to compute the value of , based on a specified value for the viscosity ratio, . is the unit tensor and is a material constant that controls the extensional viscosity and the ratio of the second normal-stress difference to the first. For low values of shear rate,

94

(642)

For the majority of fluids, this ratio is between 0.1 and 0.2.

6.3.2.5.2. Inputs

The units for the parameters and their names in the ANSYS POLYMAT interface are as follows: Parameter Name in ANSYS POLYMAT visc trelax ratio alfa Mass 1 1 Length 1 1 Time 1 1 2 1

is also equal to 0.

By default, and are equal to 1, the viscosity ratio is equal to 0 (i.e., and

In a simple shear flow (Figure 6.41 (p. 96)), controls the shear-thinning effect. The first normal-stress difference is non-quadratic, and the cut-off appears earlier if ! increases. If ">0.5, you must add a Newtonian component (#$) to the total viscosity in order to avoid instabilities.

95

Figure 6.42 (p. 97) shows the behavior of the Giesekus fluid in an extensional flow.

96

Here, the steady extensional viscosities are finite. For small values of extension thickening occurs, and for large values extension thinning occurs. In a transient shear flow (Figure 6.43 (p. 98) ), the stress overshoot is less severe than for the PTT model; there are fewer oscillations.

97

The duration of the transient phase depends on the imposed shear rate (the same behavior as for the PTT model). For a high shear rate, the stress overshoots during the transient phase. As the shear rate increases, the final value decreases as the overshoot increases. The duration of the transient phases decreases as the shear rate increases.

The FENE-P model is derived from molecular theories and is based on the assumption that the polymer macromolecules are idealized as dumbbells linked with an elastic connector or spring and suspended in a Newtonian solvent of viscosity . Unlike in the Maxwell model, however, the springs are allowed only a finite extension, so that the energy of deformation of the dumbbell becomes infinite for a finite value of the spring elongation. This model predicts a realistic shear thinning of the fluid and a first normal-stress difference that is quadratic for low shear rates and has a lower slope for high shear rates.

6.3.2.6.1. Equations

The FENE-P model computes from

(643)

where

is computed from

98

+ =

(644)

and is the ratio of the maximum length of the spring to its length at rest:

(645)

is an equilibrium length that corresponds to rigid motion (in this case, =0 and the tension in the connector equals the Brownian forces). is the maximum allowable dumbbell length. Figure 6.44 (p. 99)

shows how the distance between dumbbells is based on the relative position of both ends.

is always greater than 1. As becomes infinite, the FENE-P model reduces to the upper-convected

Maxwell model.

tion 627 (p. 76) are partial shear viscosities. ANSYS POLYMAT uses Equation 628 (p. 76) and Equation 629 (p. 76) to compute the value of #$, based on a specified value for the viscosity ratio, %& . The motion of the dumbbells is the result of hydrodynamic, Brownian, and spring forces. ' represents the tension in the spring (spring forces) and the Brownian motion. ( represents the Newtonian (hydrodynamic) forces. See [1] (p. 199) for additional information about the FENE-P model. Note that the FENE-P model is not available for non-isothermal flows.

6.3.2.6.2. Inputs

The units for the parameters and their names in the ANSYS POLYMAT interface are as follows:

99

Chapter 6: Material Data Parameters Parameter Name in ANSYS POLYMAT visc trelax ratio Lsqrd Mass 1 1 Length 1 2 1 Time 1 1 2 1

By default, , , and are equal to 1, and the viscosity ratio is equal to 0 (i.e., and are equal to 0).

The behavior of the FENE-P model with small values of for a simple shear flow is illustrated in Figure 6.45 (p. 101). Shear thinning occurs with this model, and for large values of shear rate, the slope is 2/3. Thus the addition of a Newtonian viscosity component is not required for stability. The first normalstress difference is non-quadratic, and the second normal-stress difference is 0. The cut-off appears sooner when

! decreases, down to a value of 3. No asymptotic behavior is observed. For low values '

100

Figure 6.45 Effect of Small Values of L^2 on the FENE-P Model for Shear Flow

The behavior of the FENE-P model with large values of for a simple shear flow is illustrated in Figure 6.46 (p. 102).

101

Figure 6.46 Effect of Large Values of L^2 on the FENE-P Model for Shear Flow

For large values of , the FENE-P model is observed to exhibit Maxwellian behavior: quadratic first normal-stress difference and low shear rates,

close to . For close to 1, Newtonian behavior is observed: quadratic but small first normal-stress difference, tends toward 0, cut-off occurs at high shear rates. For

=

(646)

For extensional flows, controls the extensional viscosity. As shown in Figure 6.47 (p. 103), the extensional viscosities are finite. For large values of ! , the FENE-P model is observed to exhibit Maxwellian behavior: the extensional viscosities are very high for is observed: the extensional viscosities are constant.

"

102

Figure 6.47 Effect of L^2 on the FENE-P Model for Extensional Flow

The behavior of the FENE-P model for a transient shear flow is shown in Figure 6.48 (p. 104) and Figure 6.49 (p. 105). For high shear rates, the stress overshoots in the transient phase. When the shear rate increases, the final value and the transient phase decrease while the overshoot increases. For large values of , the FENE-P model is observed to exhibit Maxwellian behavior: no stress overshoots. For mid-range values of , the stress overshoots increase and the transient phase decreases as decreases. For close to 1, Newtonian behavior is observed: no stress overshoots and a short transient phase even for high values of shear rate.

103

Figure 6.48 Effect of Large Values of L^2 on the FENE-P Model for Transient Shear Flow

104

Figure 6.49 Effect of Mid-Range Values of L^2 on the FENE-P Model for Transient Shear Flow

In the POM-POM model, the pom-pom molecule consists of a backbone to which arms are connected at both extremities. In a flow, the backbone may orient in a Doi-Edwards reptation tube consisting of the neighboring molecules, while the arms may retract into that tube. The concept of the pom-pom macromolecule makes the model suitable for describing the behavior of branched polymers. The approximate differential form of the model is based on equations of macromolecular orientation, and macromolecular stretching in relation to changes in orientation. The model, referred to as DCPP ([2] (p. 199), [6] (p. 199)), allows for a non-zero second normal stress difference. The DCPP model computes from an orientation tensor, and a stretching scalar (states variables), on the basis of the following algebraic equation:

(647)

where is the shear modulus and is a non-linear material parameter (the non-linear material parameter will be introduced later on). The state variables and are computed from the following differential equations:

105

+

+

+ =

=

(648)

(649)

In these equations, and are the relaxation times associated with the orientation and stretching mechanisms respectively. In the last equation, ! characterizes the number of dangling arms (or priority) at the extremities of the pom-pom molecule or segment. It is an indication of the maximum stretching that the molecule can undergo, and thus of a possible strain hardening behavior. " can be obtained from the elongational behavior. # is a nonlinear parameter that has enabled the introduction of a nonvanishing second normal stress difference in the DCPP model. A multi-mode DCPP model can also be defined. Each contribution $ will involve an orientation tensor % and a stretching variable & '. A few guidelines are required for the determination of the several linear and non-linear parameters. Consider a multi-mode DCPP model characterized by ( modes sorted with increasing values of relaxation times ) 0 (increasing seniority). The linear parameters 1 2 and 3 4 characterizing the linear viscoelastic behavior of the model can be determined with the usual procedure. Then the relaxation times (5 67) for stretching should be determined. Depending on the average number 8 of entanglements of backbone section, the ratio 9 should be within the range of 2 to 10. For a com8 @9

pletely unentangled polymer segment, you may accept the physical limit of A B=C DE. F GH should also satisfy the constraint I P R I QP I P, since S T U sets the fundamental diffusion time for the branch point controlling the relaxation of polymer segment (V).

The parameter WX indicating the number of dangling arms (or priority) at the extremities of a pom-pom segment Y, also indicates the maximum stretching that can be undergone by that segment, and thus its possible strain hardening behavior. For a multi-mode DCPP model, both seniority and priority are assumed to increase together towards the inner segments; hence ` a should also increase with b c. The parameter d e can be obtained from the elongational behavior.

f g is a fifth set of non-linear parameters that control the ratio of second to first normal stress differences.

The value of parameter h i should range between 0 and 1. For moderate values, p q corresponds to twice the ratio of the second to the first normal stress difference, and may decrease with increasing seniority.

As for other viscoelastic models, a purely-viscous component r can be added to the viscoelastic component s, in order to get the total extra-stress tensor:

= t+ u

where

(650)

106

=

where is the rate-of-deformation tensor and is the viscosity.

(651)

6.3.2.7.1. Inputs

The units for the parameters and their names in the ANSYS POLYMAT interface are as follows: Parameter Name in ANSYS POLYMAT visc2 trelax G0 tlambda nbarms xi Mass 1 1 1 Length 1 1 1 Time 1 1 2 1 2 1 -

, ,

By default, and are set to 1, the number of arms to 2 and the other parameters to 0.

Figure 6.50 (p. 108) shows the steady viscometric behavior of a single mode DCPP fluid model for various values of the parameter . For the present illustration, the shear modulus equals 1000, while the relaxation times for orientation and stretching have been assigned the values 1 and 0.5, respectively. As can be seen, constant viscosity and quadratic first normal stress difference are obtained at low shear rates. Non-linear behavior is found beyond

linear behavior, while it also generates a non-vanishing second normal stress difference. The other nonlinear parameters $ % and & have actually a negligible influence on the viscometric properties.

107

In Figure 6.51 (p. 109), we display the steady elongation viscosity of a single mode DCPP fluid model for increasing values of . For the continuous curves, the shear modulus equals 1000, while the relaxation times for orientation and stretching have been assigned the values 1 and 0.5, respectively. Also, the non-linear parameter is equal to 0.1. As is known for the DCPP model, and more generally for pompom models, the parameter is an indication of branching, and thus of strain hardening in elongation. As can be seen from Figure 6.51 (p. 109), the elongation viscosity increases when the strain rate is larger than , and the strain hardening is enhanced for increasing values of . The figure also shows the steady as well as for = . As can be seen, the influence of these elongation viscosity obtained for = parameters on the steady elongation viscosity remains moderate as compared to that of parameter .

108

Finally, Figure 6.52 (p. 110) shows the transient elongation viscosity of various single-mode DCPP fluid model characterized by different branching levels (), at elongation rates successively equal to 0.1, 1 and 10. We find that all curves collapse at low strain rate (0.1), while they markedly differ at high strain rate (10).

109

Figure 6.52 Effect of Parameter q on Transient Elongation Viscosity for Different Values of the Elongation Rate

Elastomers are usually filled with carbon black and/or silicate. From the point of view of morphology, macromolecules at rest are trapped by particles of carbon black, via electrostatic van der Waals forces. Under a deformation field, electrostatic bonds can break, and macromolecules become free, while a reverse mechanism may develop when the deformation ceases. One can thus be facing a macromolecular system consisting of trapped and free macromolecules, with a reversible transition from one state to the other one. Leonov and Simhambhatla have developed a rheological model ([8] (p. 199), [7] (p. 199), [3] (p. 199)) for the simultaneous prediction of the behavior for trapped and free macromolecular chains. This model for filled elastomers involves actually two tensor quantities and a scalar one. These tensor quantities focus respectively on the behavior of the free and trapped macromolecular chains of the elastomer, while the scalar quantity quantifies the degree of structural damage (debonding factor). The model exhibits a yielding behavior. It is intrinsically non-linear, as the non-linear response develops and is observable at early deformations. In a single-mode approach, the total stress tensor contributions, as follows: can be decomposed as the sum of free and trapped

(652)

As for other viscoelastic models, a purely-viscous component is added to the viscoelastic components in order to get the total extra-stress tensor: 110

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=

where is the rate-of-deformation tensor and is the viscosity.

(653)

In Equation 652 (p. 110), subscripts and respectively refer to the free and trapped parts. Each of these contributions obeys its own equation. In particular, they invoke their own deformation field described by means of Finger tensors. An elastic Finger tensor

+ +

is defined for the free chains, which obeys the following equation:

=

(654)

where is the relaxation time, is the unit tensor, while and are the first invariant of respectively, defined as

and

,

= =

(655)

(656)

The parameter 4 must be ; and increases slightly the amount of shear thinning. Similarly, an elastic Finger tensor

(657)

is defined for the trapped chains, which obeys the following equation:

+6 7

9+

89 8@

=

E , respectively, defined as

(658)

and

FG = HI =

(659)

(660)

In the equation for the trapped chains, the variable Q quantifies the degree of structural damage (debonding factor), and is the fraction of the initially trapped chains that are debonded from the filler

111

ation time and is referred to as the mobility function". A phenomenological kinetic equation is suggested for :

+ =

(661)

In Equation 661 (p. 112), is the local shear rate while time factor, which may delay or accelerate debonding. For the mobility function plemented:

appearing in Equation 658 (p. 111), the following form has been im-

+

(662)

The above selection for the mobility function endows the rheological properties with a yielding behavior. When is large (or unbounded), the algebraic term dominates the constitutive equation for ! (Equation 658 (p. 111)), and the solution is expected to be =1. When " # is vanishing, becomes governed by a purely transport equation; this may lead to numerical troubles when solving a complex steady flow with secondary motions (vortices). This situation can occur if parameter $ is set to zero and under no-debonding situation (% = ). Therefore, we suggest imposing a small (but non-zero) value for parameter & (by default, we suggest the value 0.05, which is a reasonable compromise between rheological properties and solver stability). Based on this, parameter ' can be understood as the value of the mobility function under no-debonding. Finally, in order to relate the Finger tensors to the corresponding stress tensor, potential functions are required. For and , the following expressions are suggested:

( 3

) 0

25

+1

26

(663)

7B

8 9

AD

+@

AE

(664)

with F and G . It is interesting to note that H has no effect on the shear viscosity, while it contributes to a decrease of the elongational viscosity. On the other hand, the parameter I increases both shear and elongational viscosities. From there, stress contributions from free and trapped chains in Equation 652 (p. 110) are respectively given by:

112

+ +

+

(665)

=

(666)

where parameter is the initial ratio of free to trapped chains in the system. A vanishing value of indicates that all chains are trapped at rest, while a large value of indicates a system that essentially consists of free chains.

6.3.2.8.1. Inputs

The units for the parameters and their names in the ANSYS POLYMAT interface are as follows: Parameter Name in ANSYS POLYMAT visc, additional viscosity trelax, relaxation time G, shear modulus alpha, initial ratio of free to trapped chains beta, coefficient in potential function # n, index in potential function % m, deformation history-dependence nu, power index ( in mobility function k, mobility under no-debonding q, dimensionless time factor gamma*, yielding strain Mass 1 1 1 Length 1 1 1 Time 1 1 2 2 1 -

B are set to 1, C and D are set to 2, E is set to 0.05 and the other parameters

Important

In the current version of ANSYS POLYMAT, you cannot fit the Leonov model and/or draw the corresponding rheometric curves in the chart.

113

Chapter 6: Material Data Parameters From the point of view of rheology and numerical simulation, for single- and multi-mode fluid models, a purely viscous contribution must be added to the total extra-stress tensor. Actually, this is largely motivated by the fact that the matrix of the discretized system can be singular when all fields are initialized to values that correspond to the solution at rest. Hence, the first or only mode will always be accompanied by a Newtonian contribution, whose corresponding viscosity value received a unit default value. This value can be modified by the user. Also, as suggested above, a non-vanishing value should be selected for the mobility function under no-debonding. As can be seen, next to parameters and controlling the linear properties, the model involves two functions and several non-linear parameters. In a single mode approach, the influence of these parameters on the viscometric and elongational properties can be easily identified, and appropriate values can be selected accordingly. By default, the non-linear parameters are assigned values that are relevant from the point of view of rheology. In a multi-mode approach, in order to facilitate the definition of a flow case, corresponding non-linear parameters should preferably be identical for each mode.

In simple shear flow, the Leonov model exhibits shear thinning, which is slightly affected by some parameters. Figure 6.53 (p. 115) shows that an increase of the parameter (initial ratio of free to trapped chains) slightly decreases the shear viscosity at low shear rates. This can be easily understood if one considers e.g. that when =0, the material consists only of trapped chains at rest. The figure also shows that parameter increases the shear viscosity at high shear rates, while parameter has a very limited influence. Finally, as can be seen in Figure 6.53 (p. 115), shear viscosity curves do not show a plateau at low shear rates. This is the fingerprint of the yielding behavior of the fluid model, which is controlled by the value of the mobility function under no-debonding (parameter ). Actually, if increases, the viscosity curves exhibit a plateau at low shear rates; however, as can be seen in the insert, this does not affect the behavior at high shear rates, while it may improve the stability of the solver.

114

Figure 6.53 Shear Viscosity of the Leonov Model with Parameters G=1000, =1, q=1, =0, =2, *=2, and a=1, k=n=m=0 (continuous lines).

Dashed and dashed-dotted lines show the viscosity for the value of the parameters as indicated. The insert shows the viscosity curves obtained for various values of the mobility function under no-debonding (parameter k). Note that these curves are not obtained from ANSYS POLYMAT; they result from semianalytical calculations. Figure 6.54 (p. 116) shows that similar trends are found for the first normal stress difference. Figure 6.54 (p. 116) shows that an increase of the parameter slightly decreases the first normal stress difference at all shear rates. The figure also shows that parameter increases the first normal stress difference at all shear rates, while parameter decreases it at high shear rates. Finally, as can be seen, the first normal stress difference shows a plateau at low shear rates; this is a counterpart of the yielding behavior of the fluid model, which is also controlled by the value of the mobility function under no-debonding (parameter ). Actually, if increases, the first normal stress difference exhibit a quadratic behavior at low shear rates; however, as can be seen in the insert, this does not affect the behavior at high shear rates, while it may improve the stability of the solver.

115

Figure 6.54 First Normal Stress Difference of the Leonov Model with Parameters G=1000, =1, q=1, =0, =2, *=2, and a=1, k=n=m=0 (continuous lines).

Dashed, dashed-dotted and dotted lines show the first normal stress difference for the value of the parameters as indicated. The insert shows the curves of first normal stress difference obtained for various values of the mobility function under no-debonding (parameter ). Note that these curves are not obtained from ANSYS POLYMAT; they result from semi-analytical calculations. In simple elongation flow, the Leonov model exhibits marked strain thinning at low strain rates; it is slightly affected by some parameters. Figure 6.55 (p. 117) shows that an increase of the parameter (initial ratio of free to trapped chains) slightly decreases the elongation viscosity at low strain rates. This can be easily understood if one considers e.g. that when =0, the material consists only of trapped chains at rest. The figure also shows that parameter increases the elongation viscosity at high strain rates, while parameters and decrease the elongation viscosity. Finally, as can be seen in Figure 6.55 (p. 117), elongation viscosity curves do not show a plateau. This is the fingerprint of the yielding behavior of the fluid model, which is controlled by the value of the mobility function under no-debonding (parameter ). Actually, if increases, the elongation viscosity curves exhibit a plateau at low strain rates; however, as can be seen in the insert of Figure 6.55 (p. 117), this does not really affect the behavior at high strain rates while it may improve the stability of the solver.

116

Figure 6.55 Elongation Viscosity of the Leonov Model with Parameters G=1000, =1, q=1, n=1, =2, *=2, and a=1, =k=m=0 (continuous lines).

Dashed, dashed-dotted and dotted lines show the elongation viscosity for the value of the parameters as indicated. The insert shows the curves of the steady elongation viscosity obtained for various values of the mobility function under no-debonding (parameter ). Note that these curves are not obtained from ANSYS POLYMAT; they result from semi-analytical calculations. Figure 6.56 (p. 118) shows the transient shear viscosity versus time at shear rates ranging from 10-2 to 10, for various values of parameters and . At first, as can be seen, the transient shear viscosity exhibits an overshoot before reaching the steady value. It is also interesting to note that the response time decreases when the shear rate increases. This actually results from the increasing mobility function under increasing shear rates. Eventually, we find that parameter decreases the elongation viscosity, while the other parameters have a somewhat less marked influence.

117

Figure 6.56 Transient Shear Viscosity of the Leonov Model Versus Time, at Shear Rates Ranging from 10^-2 to 10, With Parameters G=1000, =1, q=1, n=1, =0, =2, *=2, and a=1, k=m=n=0, (continuous lines).

Dashed and dotted lines show the viscosity for the value of the parameters as indicated. Note that these curves are not obtained from ANSYS POLYMAT; they result from semi-analytical calculations.

The viscosity in a non-isothermal differential viscoelastic flow can be temperature-dependent. As described in Introduction (p. 50), the viscosity will be multiplied by a temperature shift function . For nonisothermal differential viscoelastic flows, the relaxation time is multiplied by the same temperature shift function. Temperature-dependent functions available for non-isothermal differential viscoelastic flows are the Arrhenius law, the Arrhenius approximate law, and the WLF law, all described in Temperature Dependence of Viscosity (p. 62).

If you define multiple relaxation modes for your differential viscoelastic fluid, you can specify the model, relaxation time, and other parameters for each mode. (It is recommended that you use the same model for each relaxation mode.) For multiple relaxation modes, the viscoelastic stress is written as follows:

= =

A purely-viscous component can also be added.

(667)

118

Differential Viscoelastic Flow Consider, for example, a fluid being modeled with two relaxation modes as follows: mode 1: PTT model, =0.1 s, = mode 2: PTT model, =1 s, = Pa-s, =0.2, = Pa-s, =0.2, =

Figure 6.57 (p. 119) shows the viscometric behavior for this fluid in a simple shear flow. Here, the cut-off is controlled by the larger relaxation time, and the slopes of the curves (for shear rates between 1/ and 1/) are affected.

Figure 6.58 (p. 120) shows the viscometric behavior for this fluid in an extensional flow. The slopes of the curves (for extension rates between 1/ and ) are affected.

119

Figure 6.59 (p. 121) shows the viscometric behavior for this fluid in a transient shear flow. The multiple relaxation modes have an effect on the transient phase. In this case, the length of the transient phase depends upon the larger relaxation time. The multiple relaxation modes also affect the overshoot magnitude.

120

This section describes the following topics: 6.4.1. Introduction 6.4.2. Integral Viscoelastic Models 6.4.3.Temperature Dependence of Viscosity

6.4.1. Introduction

While the differential approach is well-suited for practical applications, the integral approach is generally used for advanced rheological research. ANSYS POLYMAT provides several numerical models for viscoelastic flow, including Doi-Edwards and KBKZ. Appropriate choices for the viscoelastic model and related parameters can yield qualitatively and quantitatively accurate representations of viscoelastic behavior. Note that the integral approach to modeling viscoelastic flow is limited to 2D models; it cannot be applied to 3D models.

6.4.1.1. Equations

For an integral viscoelastic constitutive equation, the extra-stress tensor the following equation:

121

(668)

where

$ %

!

and "#

= current time

&=

'(

13

(669)

and

46

(670)

7 8

The various integral viscoelastic models are characterized by the form of the functions 9A @A @B , and CE DF DE . For non-isothermal flows,

X G

tion 668 (p. 122)), provided that a modified time scale H is used for evaluating the strain history:

= I

RW

SW SY

Q + RY

SW SY

UP Q UQ UQ

(671)

fe

(672)

where i is the shift function, which can be obtained from steady-state shear-viscosity curves at different temperatures. This is the principle of time-temperature equivalence.

6.4.1.2. Inputs

To specify the viscosity model for an integral viscoelastic flow, you will click the Integral Viscoelastic models menu item in the Material Data menu. Integral Viscoelastic models 122

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Integral Viscoelastic Flow If you want to choose a generalized Newtonian flow model with a shear-thinning behavior that is identical to the currently defined integral model, click the Switch to Generalized Newtonian Flow menu item in the Integral Viscoelastic models menu. Switch to Generalized Newtonian Flow If you want to use the Doi-Edwards model instead of the default KBKZ model, click the Switch to Doi - Edwards Model menu item in the Integral Viscoelastic models menu. Switch to Doi - Edwards Model If you want to define a spectrum of relaxation times, click the Modify the spectrum menu item in the Integral Viscoelastic models menu. Modify the spectrum The spectrum can be defined with (relaxation force, time) or (viscosity, time) data pairs. If you are using the KBKZ model, you can click Modify the damping function to specify which damping function is to be used. Modify the damping function The default function is Lodge-Maxwell (i.e., no damping). For the KBKZ model, you can also click Modify N2 / N1 to define the ratio of the normal stress differences. Modify N2 / N1 If you want to add a constant Newtonian viscosity component to the viscoelastic stresses, you can click Modify add visc and set a non-zero value for . Modify add visc To specify the temperature dependence of viscosity for an integral viscoelastic flow, you will click the Temperature dependence menu item in the Integral Viscoelastic models menu. Temperature dependence Note that the Management of the evolutive viscosity and Numerical integration menu items are not relevant for ANSYS POLYMAT. See Non-Automatic Fitting (p. 37) and Automatic Fitting (p. 42) for information about where and how the material data specification occurs in the non-automatic and automatic fitting procedures, respectively. See Integral Viscoelastic Models (p. 123) and Temperature Dependence of Viscosity (p. 135) for details about the parameters and characteristics of each fluid model.

There are two integral viscoelastic models provided in ANSYS POLYMAT:

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123

Chapter 6: Material Data Parameters Doi-Edwards model: Theoretically, this model has an infinity of relaxation times, determined by only two parameters: the main relaxation time and the zero-shear-rate viscosity. This constitutive equation is characterized by shear thinning and a non-quadratic first normal-stress difference at high shear rates. It also predicts a non-zero second normal-stress difference and a finite steady extensional viscosity. For stability reasons, however, it is necessary to add a purely-viscous component to the extra-stress tensor for simple shear flows. The viscosity associated with this purely-viscous stress leads to a plateau zone at high shear rates. In this way, the slope of the curve as a function of is greater than . KBKZ model: In addition to the spectrum that describes the linear viscoelastic behavior of the material, the KBKZ model also makes use of a damping function. The damping function can be a constant value, or one of two functions: Papanastasiou-Scriven-Macosko (PSM) or Wagner. Each of these two functions has a reversible and an irreversible function type. Both functions are controlled by two parameters: and for the PSM model and and for the Wagner model. A third parameter, , affects the ratio of the second to the first normal-stress difference. For the PSM model, high values of lead to a large constant viscosity plateau; = corresponds to a constant damping function, which corresponds to a Lodge-Maxwell model. If decreases, the constant viscosity plateau moves toward lower shear rates. For the Wagner model, high values of lead to a short constant viscosity plateau, while a small value of gives a plateau for a large range of shear rates. For small values of the invariant (a combination of and , defined in Equation 680 (p. 126) ), both damping functions are very similar. For high values of , however, the exponential function of the Wagner model decreases more quickly than the rational function of the PSM model. High values of occur in the case of large deformations. The parameter has no effect on the shear viscosity or on the first and second normal-stress differences. It affects only the extensional viscosity. A zero value for leads to an unbounded steady extensional viscosity. Increasing ! decreases the maximum value of the steady extensional viscosity curve. For the PSM and Wagner models, it is possible to introduce the concept of irreversibility originally mentioned by Wagner [9] (p. 199). The idea is that the damping function must only decrease. According to Wagner, this is a realistic assumption when intermolecular association occurs, as in a narrowing part of a duct, for example. In the case of a high flow rate through a contraction followed by an expansion, it is reasonable not to allow the damping function to increase again after the narrowing of the channel. As for the Doi-Edwards model, it is necessary to add a purely-viscous component to the extra-stress tensor for simple shear flows with the KBKZ model. Details about each model are provided below.

The Doi-Edwards model is characterized by shear thinning and a non-quadratic first normal-stress difference at high shear rates. It also predicts a non-vanishing second normal-stress difference and a finite steady extensional viscosity. In the Doi-Edwards model, " is computed from 124

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= =

where

+

(673)

= +

and

+

(674)

!# = !$ "# +

%&'

(675)

) (optional, but strongly recommended) is computed from Equation 627 (p. 76).

The KBKZ model provides additional accuracy by including a damping function in its constitutive equations. 0 is computed from

B=

9 1 9= B3 D

C 9

@ 2

4 B 7 4 + 1 A 7 4 84 5 6B 6D A 3 9

(676)

and E (optional, but strongly recommended) is computed from Equation 627 (p. 76), based on the specified value of FG. In Equation 676 (p. 125), H is the index of the relaxation mode and I is a scalar parameter that controls the ratio of the normal-stress differences:

PR = PS

Q Q

(677)

and T is the damping function. The simplest case (Lodge-Maxwell model) is for no damping: U = and V = . The Papanastasiou-Scriven-Macosko (PSM) model computes W from

X=

Y Y +`

(678)

where a is a material parameter that primarily influences the shear-thinning behavior. The default value for b is 1, which may be unrealistic for many fluids, due to the large possible range of this parameter.

125

from

(679)

where is a material parameter that influences both the shear viscosity and the elongational behavior of the material. The reversible PSM model uses Equation 678 (p. 125), allowing PSM model allows only to decrease.

Similarly, the reversible Wagner model uses Equation 679 (p. 126), allowing The irreversible Wagner model allows only to decrease.

In both Equation 678 (p. 125) and Equation 679 (p. 126), is computed from

= +

where

(680)

! is a material parameter that influences only the elongational behavior of the material. The default value for " is 1, which may

are given by Equation 669 (p. 122) and Equation 670 (p. 122). be unrealistic for many fluids, due to the large possible range of this parameter.

and

Figure 6.60 (p. 127) through Figure 6.70 (p. 135) show the influence of each parameter of the damping models on the rheological curves for a low-density polyethylene with the following parameters:

'

1 2 3 4 5 6 7 8

12.9 94.8 586.0 2670.0 9800.0 18900.0 18000.0 1000.0 10 103 102 101 10+0 10+1 10+2 10+3

For oscillatory shear flow, the wiggles in Figure 6.60 (p. 127) are due to the discrete relaxation spectrum. There is one wiggle for each relaxation time, at .

)0

126

Figure 6.60 Storage and Loss Moduli for Oscillatory Shear Flow

A comparison of the Wagner and PSM damping functions for oscillatory shear flow is shown in Figure 6.61 (p. 127).

The damping functions are equivalent for small values of invariant . For large values of , the Wagner damping function decreases more quickly than the PSM function ( < ).

Figure 6.62 (p. 128) shows a comparison of the Wagner and PSM damping functions for a simple shear flow. Shear thinning and a non-linear are observed for both functions. The first normal-stress difference is non-quadratic for both functions, with < . The first normal-stress coefficient is non-constant

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127

< . The second normal-stress difference and the second normalstress coefficient are 0 for both. is non-linear and shows asymptotic behavior. For large shear rates, < .

for both functions, with

Figure 6.63 (p. 129) shows a comparison of the Wagner and PSM damping functions for an extensional flow, with =0.

128

For the Wagner function, , , and are bounded. For the PSM function, is unbounded and and are bounded. For small extension rates, the type of damping function has no effect on

the extensional viscosity. For large extension rates, the type of damping function strongly affects the extensional viscosity.

Figure 6.64 (p. 130) shows the influence of (or ) for an extensional flow with the PSM damping function and =0.

129

Figure 6.64 Effect of (or n) on the PSM Damping Function for Extensional Flow (=0)

(or ) has little effect on the viscometric curves or the extensional viscosities. For = (or =0), the

behavior becomes the same as for Maxwell models. Figure 6.65 (p. 131) shows the influence of =14.38.

130

Figure 6.65 Effect of on the PSM Damping Function for Steady Extensional Flow (=14.38)

is very sensitive to , is affected around =1, and is not affected by . Note that has no

influence on shear viscosity. Figure 6.66 (p. 132) shows the influence of for an extensional flow with the PSM damping function and =14.38, =0.1.

131

Figure 6.66 Effect of on the PSM Damping Function for Steady Extensional Flow (=14.38, =0.1)

When decreases, decreases, increases, and is not affected. Note that, in a simple shear flow, the viscometric functions (except the second normal-stress difference and coefficient) are independent of .

Figure 6.67 (p. 133) shows a comparison of the Wagner and PSM damping functions for a transient shear flow, with =0.

132

Figure 6.67 Comparison of Damping Functions for Transient Shear Flow (=0)

For the Wagner function, the overshoot is more significant, especially for the first normal-stress coefficient. The final value of the first normal-stress coefficient is lower for the Wagner function than for the PSM function. While the transient behavior depends upon shear rate, it is independent of the reversibility of the damping function. Figure 6.68 (p. 134) shows the influence of (or ) for a transient shear flow with the PSM damping function and =0.

133

Figure 6.68 Effect of (or n) on the PSM Damping Function for Transient Shear Flow (=0)

(or ) has little effect on the development of the transient viscosity and the first normal-stress coefficient. It affects only the final value of the viscosity and the first normal stress. In the reversible PSM damping function, can increase or decrease, and in the irreversible function, can only decrease. To illustrate the difference between reversible and irreversible damping functions, consider a shear-rate history that is a function of time. As shown in Figure 6.69 (p. 134), the shear rate is equal to for < , whereas it becomes for .

134

Simplified Viscoelastic Model Figure 6.70 (p. 135) shows a comparison between the reversible and irreversible PSM damping function for a transient shear flow with =14.38. The first normal-stress difference for the irreversible function is less than or equal to the first normal-stress difference for the reversible function. As a result, the swelling with the irreversible function is less than with the reversible function.

Figure 6.70 Comparison of Reversible and Irreversible PSM Damping Functions for Transient Shear Flow (=14.38)

Three models are available for the temperature shift function in Equation 672 (p. 122): the Arrhenius law, the Arrhenius approximate law, and the WLF law, all described in Temperature Dependence of Viscosity (p. 62). It is also possible to eliminate the temperature dependence using a temperature shift function equal to 1.

One of the interesting features of viscoelastic flow simulations is the prediction of extrudate swelling, which can be larger than their Newtonian counterparts. Running complex 3D flows with a rheologically sophisticated model, however, can be computationally expensive. Therefore, a more simplified approach is needed: one in which you can qualitatively predict the extrudate free surface. This approach is referred to as the simplified viscoelastic model" or the light viscoelastic model". This section describes the following topics: 6.5.1. Equations 6.5.2. Identification of Model Parameters and Functions

135

6.5.1. Equations

It is known that the first normal stress difference is mainly responsible for enhanced extrudate swell in extrusion flow. This is typically a viscoelastic property. With respect to this, the simplified viscoelastic model is an extension of existing Newtonian fluid models, where a normal stress difference has been incorporated into the force balance. In other words, in simple shear flow along the first axis and with a shear rate , the total extra-stress tensor is given by:

(681)

In this tensor, is the shear stress component, which involves the shear rate dependent viscosity

. Several laws are available for describing the shear viscosity (see Generalized Newtonian Flow (p. 49)

for more details), for instance, the constant law (Equation 67 (p. 51)), the Bird-Carreau law (Equation 68 (p. 51)), the Power law (Equation 69 (p. 52)), the Cross law (Equation 614 (p. 58)), the modified Cross law (Equation 615 (p. 59)), and the Carreau-Yasuda law (Equation 617 (p. 61)). The first normal stress is given by . This quantity involves the viscoelastic variable , a quantity that can be referred to as the first normal viscosity, and a weighting coefficient . The viscoelastic variable obeys a transport equation involving a characteristic or relaxation time

, and which is given by: ! "# "$

+ #= !

(682)

The equation is such that you recover the solution % = & in simple shear flow. The first normal viscosity

' (

found in Equation 681 (p. 136) is described by means of functions similar to those available for

the shear viscosity ) 0 , where 1 is presently replaced by 2 . In order to facilitate the set up of a flow simulation involving the simplified viscoelastic model, identical dependences for 3 4 and 5 6 are considered by default. However, it is important to note that different functions can be selected for the shear and first normal viscosities. Three algebraic models are available for the relaxation time function: Constant relaxation Bird-Carreau law Power law

Finally, for non-isothermal flows, temperature dependence laws can be selected for the shear and first normal viscosities (see Temperature Dependence of Viscosity (p. 62) for more details). For instance, there is the Arrhenius law Equation 621 (p. 63)), the approximate Arrhenius law (Equation 622 (p. 64) ), and the WLF law (Equation 624 (p. 70)). 136

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Simplified Viscoelastic Model When defining a non-isothermal case, a single function is used to describe the temperature dependence of the material functions , , , and optionally of .

The simplified viscoelastic model is mainly an empirical construction. The key ingredient is the normal stress property that is introduced for the prediction of swelling. Although it is possible to qualitatively relate the swelling and the first normal stress difference, a quantitative relationship is not obvious. Methodologies have to be identified and developed for the determination of material functions and parameters. A stepwise technique is recommended for this purpose. Note that the simplified viscoelastic model has been developed and implemented mainly for the simulation of 3D extrusion flows, thus including the prediction of extrudate swelling. Therefore, it is acceptable to use cylindrical extrudate swelling data for the identification of the specific model properties. As seen above, the simplified viscoelastic model involves three material functions and a parameter: the shear viscosity , the first normal viscosity , the relaxation time , and a weighting coefficient . Typically, usual viscosity data should be used for identifying the shear viscosity function. In most situations, shear thinning is experimentally observed, and algebraic relationships such as power law, Bird-Carreau, or Cross laws will be good candidates. However, it is recommended that you consider a law that exhibits a zero-shear plateau if regions of no-deformation are expected over the flow domain.

Important

The parameters of the shear viscosity can be fitted automatically in ANSYS POLYMAT based on experimental steady shear viscosity curve(s), as for a generalized Newtonian model. The other parameters of the model cannot actually be fitted in ANSYS POLYMAT. Note that if rheometric curves are drawn in the chart, only the Newtonian part of the model is seen. Next, a function and material parameters should be selected for the first normal viscosity . By default, a relationship identical to the selected shear viscosity is considered, as this appears to be a reasonable choice, at least at first. Of course, this default selection can be revised subsequently. The power law, which exhibits unbounded values under zero deformation, should be avoided if large regions of no deformation are expected. Instead, functions that exhibit a plateau, such as the Bird-Carreau laws, should be preferred.

! and the weighting coefficient ", it is suggested to perform a Eventually, for the relaxation time fast 2D simulation of axisymmetric extrudate swelling, where the effects of the remaining degrees of freedom are examined. Typically, the weighting coefficient # will control the swelling intensity versus

the flow rate, while the relaxation time function $ % will control the development of the extrudate diameter along the jet, and may have a possible influence also on the developed extrudate geometric attributes. Usually, a constant value or a Bird-Carreau law can be selected for the relaxation time; the value or zero-shear value should preferably be in agreement with the typical times involved in the flow. On the other hand, a series of calculations should be performed with various values of the weighting coefficient &, where the development of extrudate versus the flow rate is examined, via an evolution scheme. A comparison with experimental data on swelling should enable the selection of an appropriate numerical value for the weighting coefficient '.

137

6.5.3. Inputs

The units for the parameters and their names in the ANSYS POLYMAT interface are as follows: Parameter Name in ANSYS POLYMAT viscosity function first normal viscosity function relaxation time function weighting coefficient Mass 1 1 Length 1 1 Time 1 1 1 -1 -1

By default, the viscosity, the first normal viscosity, and the relaxation time functions are constant and set to 1. The weighting coefficient is also set to 1.

The simplified viscoelastic model involves three material functions and a parameter: the shear viscosity , the normal viscosity , the relaxation time , and a weighting coefficient . Considering the empirical construction of the simplified viscoelastic model, it is probably more relevant to inspect the behavior from the point of view of extrusion flow, in particular from the point of extrudate swelling. As will be seen, the various ingredients may have opposite effects, and enter in competition with each other. As is known, shear thinning decreases the extrudate swelling. However, the other ingredients will usually enhance the swelling. Consider that the normal and shear viscosities are the same function of their respective dependence variable; the weighting coefficient and the relaxation time are to be considered. Actually, selecting a normal viscosity independently with respect to the shear viscosity will mainly make the analysis more complex without significantly affecting the general conclusions. The weighting coefficient adjusts the intensity of the first normal stress difference, and will essentially enhance the extrudate swelling. This is shown in Figure 6.71 (p. 139), which plots the curve of swelling versus the flow rate for various simplified viscoelastic fluid models. The continuous lines show the swelling for various values of the weighting coefficient. Note that the amount of swelling can significantly be affected. In Figure 6.72 (p. 140), note the development of the free surface versus the axial distance, for various values of . Note that the development versus the position is not significantly affected be a specific choice of

appears in the transport equation for the viscoelastic variable; consequently it will at first affect the development of the swelling along the flow direction. This is visible in Figure 6.72 (p. 140), where the dashed lines indicate the development of swelling versus the axial distance: the development distance increases with the relaxation time, while actually the amount of swelling is less affected by the relaxation time. As can be seen in Figure 6.71 (p. 139), the overall swelling is less affected by the value of the relaxation time.

138

Figure 6.71 Example of axisymmetric extrusion simulation for the simplified viscoelastic fluid model through a cylindrical tube with a unit radius.

. Note that these curves are not obtained from ANSYS for various values of (dashed lines) at = POLYMAT; they result from ANSYS POLYFLOW calculations.

Swelling of an extrudate versus the flow rate, for various values of (continuous lines) at =0.5 and

139

Figure 6.72 Example of axisymmetric extrusion simulation for the simplified viscoelastic fluid model through a cylindrical tube with a unit radius.

Development of an axisymmetric extrudate versus the axial distance at a flow rate of 10 (see also Figure 6.71 (p. 139)), for various values of (continuous lines) at =0.5 and for various values of (dashed lines) at =1.2. Note that these curves are not obtained from ANSYS POLYMAT; they result from ANSYS POLYFLOW calculations.

140

Depending on the kinematics of the system you are modeling (steady shear flow, steady extensional flow, oscillatory shear flow, etc.), it is possible to compute and plot several viscometric properties in ANSYS POLYMAT. The following sections describe various kinematics properties, along with the name of each property as it appears in the Load Curves (Part I) and Load Curves (Part II) menus in ANSYS POLYMAT. 7.1. Steady Simple Shear Flow 7.2. Steady Extensional Flow 7.3. Oscillatory Shear Flow 7.4.Transient Shear Flow 7.5.Transient Extensional Flow

Steady simple shear flow is characterized by a horizontal velocity field, illustrated in Figure 7.1 (p. 141) and defined as follows:

= = =

(71)

where , , and are the velocity components in the , , and directions, respectively, and is the constant shear rate, which is equal to .

141

Chapter 7: Rheological Properties On the basis of this flow field, the following properties can be computed: steady shear stress:

In the Load Curves (Part I) menu, click Shear Stress. steady shear viscosity:

(72)

(73)

In the Load Curves (Part I) menu, click Shear Viscosity. first normal-stress difference:

=

In the Load Curves (Part I) menu, click 1st Normal Stress Difference. second normal-stress difference:

(74)

=

(75)

In the Load Curves (Part I) menu, click 2nd Normal Stress Difference. first normal-stress coefficient:

In the Load Curves (Part I) menu, click 1st Normal Stress Coefficient. second normal-stress coefficient:

(76)

In the Load Curves (Part I) menu, click 2nd Normal Stress Coefficient. recoverable stress:

(77)

01 2 =

37 2 4 56 2

(78)

In the Load Curves (Part I) menu, click Stress ratio Sr. estimated relaxation time:

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142

(79)

Note

Equation 74 (p. 142) Equation 79 (p. 143) have non-zero values only for viscoelastic fluids. For this reason, these properties are not available in ANSYS POLYMAT for generalized Newtonian fluids. To compute each of these curves, you will need to specify a minimum and maximum shear rate ( and ), and the number of sampling points. See Defining Numerical Parameters (p. 38) and Defining

Numerical Parameters (p. 44) for information about specifying numerical parameters for viscometric property curves. See Specifying the Curves to be Calculated (p. 38) for information about specifying which curves you want to compute and plot. (Note that, if you use the automatic fitting method, ANSYS POLYMAT will automatically compute and plot the curves for all properties for which experimental data curves have been defined.)

Steady extensional flow can be uniaxial, biaxial, or planar. Uniaxial extensional flow is illustrated in Figure 7.2 (p. 144) and defined as follows:

= ! = " =

(710)

where # is a constant elongational strain rate. The corresponding stress distribution can be written as

$ '' % 1 34 2

$ (( % = $ '' % $ )) % = %&0 % = 1 35 2 = 1 45 2 =

(711) (712)

143

Biaxial extensional flow is illustrated in Figure 7.3 (p. 144) and defined as follows:

= =

=

where is a constant elongational strain rate.

(713)

144

= = = = =

where is the biaxial extensional viscosity. Planar extensional flow is illustrated in Figure 7.4 (p. 145) and defined as follows:

(714) (715)

= ! = " =

where # is a constant elongational strain rate.

(716)

$ '' % $ (( % = %&)0 %

where 123 is the planar extensional viscosity.

(717)

For extensional flow fields, the uniaxial, biaxial, and planar extensional viscosity curves (45, 678, and 9@A) can be computed. Click Uniaxial Extensional Viscosity, Biaxial Extensional Viscosity, and/or

Planar Extensional Viscosity in the Load Curves (Part I) menu if you want ANSYS POLYMAT to compute one (or more) of these curves. To compute each of these curves, you will need to specify a minimum and maximum extensional strain rate ( B CDE and F GHI), and the number of sampling points. See Defining Numerical Parameters (p. 38) and Defining Numerical Parameters (p. 44) for information about specifying numerical parameters for viscometric property curves. See Specifying the Curves to be Calculated (p. 38) for information about

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145

Chapter 7: Rheological Properties specifying which curves you want to compute and plot. (Note that, if you use the automatic fitting method, ANSYS POLYMAT will automatically compute and plot the curves for all properties for which experimental data curves have been defined.)

It is often interesting to examine the response of a viscoelastic material to a small-amplitude oscillatory shear rate. This flow allows you to investigate the linear viscoelastic behavior of the material, and yields the storage and loss moduli, and . For the upper-convected Maxwell model,

= =

+

(718)

For oscillatory shear flow fields, the property curves for the storage and loss moduli ( and ) can be computed. Select Storage Modulus and Loss Modulus in the Load Curves (Part I) menu if you want ANSYS POLYMAT to compute these curves. To compute each of these curves, you will need to specify a minimum and maximum frequency ( and ), and the number of sampling points. See Defining Numerical Parameters (p. 38) and Defining Numerical Parameters (p. 44) for information about specifying numerical parameters for viscometric property curves. See Specifying the Curves to be Calculated (p. 38) for information about specifying which curves you want to compute and plot. (Note that, if you use the automatic fitting method, ANSYS POLYMAT will automatically compute and plot the curves for all properties for which experimental data curves have been defined.)

It can also be interesting to calculate the response of a viscoelastic material to one or more instantaneous variations of shear rate. The main types of transient shear flows are described below, and Figure 7.5 (p. 147) shows the shear rate as a function of time for these flows. start-up (two time intervals):

stop (two time intervals):

(719)

146

< <

< <

= =

(720)

= =

(721)

! #$%

!0 !2

" 1 " 3

" )

(722)

The double-step flow is used to assess the irreversible character of the viscoelastic material.

For transient shear flow fields, the transient property curves for the properties defined by Equation 72 (p. 142) Equation 79 (p. 143) can be computed. Click Select transient curves in the Load Curves (Part I) menu to open the Load Curves (Part II) menu, where you can then select Transient Shear Rate, Transient Shear Stress, Transient Shear Viscosity, Transient 1st Normal Stress Difference, Transient 2nd Normal Stress Difference, Transient 1st Normal Stress Coefficient, and/or Transient 2nd Normal Stress Coefficient if you want ANSYS POLYMAT to compute one (or more) of these curves.

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147

Chapter 7: Rheological Properties To compute each of these curves, you will need to define the desired number of time intervals during which a constant shear rate is applied. The time interval is bounded by the time values and + .

All times must be included between the specified minimum and maximum times, ( and ). The number of sampling points per time interval must also be specified. See Defining Numerical Parameters (p. 38) and Defining Numerical Parameters (p. 44) for information about specifying numerical parameters for viscometric property curves. See Specifying the Curves to be Calculated (p. 38) for information about specifying which curves you want to compute and plot. (Note that, if you use the automatic fitting method, ANSYS POLYMAT will automatically compute and plot the curves for all properties for which experimental data curves have been defined.)

You may also want to calculate the response of a viscoelastic material to one or more instantaneous variations of strain rate. The main types of transient extensional flows correspond to the types of transient shear flows described in Transient Shear Flow (p. 146) and illustrated by Figure 7.5 (p. 147) (with the extensional strain rate substituted for the shear rate ). The velocity field for a transient extensional flow is as defined for the steady extensional flow in Steady Extensional Flow (p. 143). In a transient uniaxial extensional flow, the stress difference is

!! = "

(723)

# && $

# '' $ = $%()

$%(0

(724)

For transient extensional flow fields, the transient property curves for the properties defined in Steady Extensional Flow (p. 143) can be computed. Select Transient Extensional Rate, Uniaxial Extensional Stress vs. Strain [ln(1/lo)], Uniaxial Extensional Stress vs. Time, Uniaxial Extensional Viscosity vs. Time, Biaxial Extensional Stress vs. Strain [ln(1/lo)], Biaxial Extensional Stress vs. Time, Biaxial Extensional Viscosity vs. time, and/or Planar Extensional Stress vs. Strain [ln(1/lo)], Planar Extensional Stress vs. Time, Planar Extensional Viscosity vs. Time in the Load Curves (Part II) menu if you want ANSYS POLYMAT to compute these curves. To compute each of these curves, you will need to define the desired number of time intervals during which a constant extensional strain rate is applied. The time interval 1 is bounded by the time values 2 3 and 4 5 + 6. All times 7 must be included between the specified minimum and maximum times, (8 9@A and B CDE). The number of sampling points per time interval must also be specified. See Defining Numerical Parameters (p. 38) and Defining Numerical Parameters (p. 44) for information about specifying numerical parameters for viscometric property curves. See Specifying the Curves to be Calculated (p. 38) for information about specifying which curves you want to compute and plot. (Note that, if you use the automatic fitting method, ANSYS POLYMAT will automatically compute and plot the curves for all properties for which experimental data curves have been defined.)

148

This chapter describes how to visualize the rheological properties of various fluid models and to fit them to experimental data, by defining or reading experimental data curves and plotting curves graphically using ANSYS POLYMAT. 8.1. Overview 8.2. Working with Curves 8.3. Adding, Removing, and Modifying Charts

8.1. Overview

You can load 2D curves from files (as described in Reading Experimental Data Curves for the Non-Automatic Fitting Method (p. 27)), or create them in ANSYS POLYMAT (as described in Working with Curves (p. 150)). These curves are automatically displayed in a chart, which is a tab with a white area with two axes. You can manipulate the display using the various GUI controls and your mouse. Each curve can also have different attributes (color, marker, etc.) and can be included in more than one chart, if desired. After you have defined the curves in a particular chart, you can save it for use in a later ANSYS POLYMAT session. When you click the Draw menu button, the curves that were selected with the Rheometry menu button will be updated and added to the current chart. This allows you to progressively fit the selected fluid model to the available rheological data by adjusting the model parameters one by one. See Non-Automatic Fitting (p. 37) for details. Note that you will not need to click Draw and Rheometry if you use the automatic fitting procedure, because ANSYS POLYMAT will update the chart for you automatically after it completes the fitting calculation.

The following terms are used throughout this chapter: axis is a segment of a chart. Each axis has a range of values, and an interval (called a gap). You can add a name to the axis, modify the format and precision of the printed numbers, and modify the type of scaling (linear or logarithmic). See Modifying the Axis Attributes (p. 154) for details about modifying axis parameters. chart is a tab with a white window where curves are displayed. Multiple curves can be plotted on the same chart, and multiple chart tabs can be created in the chart window. curve is a set of (x,y) pairs of values. The parameters of a curve include whether the data points are connected by a line, the color and thickness of the line, and the markers for the data points. See Working with Curves (p. 150) for information about selecting and modifying curves.

149

This section describes the following topics: 8.2.1. Defining Experimental Data Curves 8.2.2. Reading Curve Files 8.2.3. Deleting a Curve 8.2.4. Modifying a Curve Definition 8.2.5. Saving a Curve 8.2.6. Moving or Copying a Curve 8.2.7. Modifying Curve Display Attributes

The procedure for defining an experimental data curve is as follows: 1. Click the curve button to open the Create a New Curve dialog box (Figure 8.1 (p. 150)).

2. 3. 4.

Enter a name for the curve in the Name text-entry box. This name will be displayed and available for selection in the curve list when you finish creating the curve. Enter the X and Y value for each data pair. At any point you can delete a single data pair by selecting it and clicking Delete, or you can delete all of the data pairs by clicking Delete All. Click OK to create the specified curve. The data points will be automatically plotted in the current chart and the name will be added to the curve list. button. The Save If you want to save the curve to a file, select it in the curve list and click the curve dialog box will open, where you can specify a file name and directory. The format of the curve file is described in Reading Experimental Data Curves for the Non-Automatic Fitting Method (p. 27). To add additional curves, repeat the previous steps.

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5.

6. 150

For information on reading curve files, see Reading Experimental Data Curves for the Non-Automatic Fitting Method (p. 27) and Reading Experimental Data Curves for the Automatic Fitting Method (p. 29).

If you want to delete a curve, select it in the curve list and click the button. You can select multiple curves in the curve list by holding down the Ctrl or Shift key while making selections and delete them all at the same time.

If you want to modify the name and/or data pairs of a curve, select it in the curve list and click the button. Then edit the Name text-entry box and/or values of the data pairs using the Edit <name> dialog box that opens, where <name> is the name of the curve.

To save a curve, select it in the curve list and click the curve button. Then specify the name and directory using the Save curve dialog box that opens, and click Save.

To move or copy a curve into another existing chart, select the curve in the curve list and click the button to open the Move or Copy Curve(s) dialog box (Figure 8.2 (p. 151)). Then, select either Move or Copy from the Options: list, select the chart to which it is to be moved or copied from the To: dropdown list, and click OK.

You can modify how a curve is displayed in the chart by selecting it in the curve list and using the curve settings, as described in The Curve Settings (p. 23).

151

Information about adding, removing, and modifying graphics is presented in the following subsections. 8.3.1. Adding and Removing a Chart 8.3.2. Modifying the Title and Legend 8.3.3. Modifying the Range and Scaling 8.3.4. Modifying the Axis Attributes

To add another chart tab to the default chart in the chart window (Figure 8.3 (p. 152)), click the New ) or right-click on the name of an existing chart (located in the tab at the Chart chart button ( top of the chart) and select New Chart from the menu that opens.

To delete a chart, right-click on the name of the chart to be deleted and select Close from the menu that opens, as shown in Figure 8.4 (p. 153). To delete every chart but one, right-click on the name of the chart to be preserved and select Close All But This from the menu that opens.

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152

To modify the title of the current chart, right click in the chart and select Properties from the menu that opens. Then click the General tab in the Properties dialog box that opens (Figure 8.5 (p. 154)), and enter a name in the Title text-entry box. If you enable the Show Legend option in the General tab, a legend will be displayed in the chart that identifies the line color and marker associated with each curve. You can specify that this legend appears within the axes or outside of the axes by enabling or disabling the Inline option, respectively. The changes you specify will not take effect until you click Apply or OK in the Properties dialog box.

153

To change the range of values visible in a chart, you can translate the view by clicking in the chart and dragging the mouse. You can revise the magnification of the view, by hovering your mouse over the chart and rotating the scroll wheel of your mouse. You can also zoom in by positioning the mouse at the corner of the area to be magnified, holding down the middle mouse button, and dragging the mouse to create a rectangle; when you release the middle mouse button, the area within the rectangle will fill the chart. You can adjust the scale of the axes of the current chart tab to show all of the data points by clicking the Auto Range button ( the menu that opens. ), or by right-clicking in the chart and selecting Auto Range from

You can also revise the range/scaling via the axis attributes, as described in Modifying the Axis Attributes (p. 154).

There are several attributes of the axes that you can modify: axis name, format and precision of the numbers attached to axis markers, and the scale and limits of the displayed numbers. All of these attributes are specified in an axis tab of the Properties dialog box. To open the Properties dialog box asso-

154

Adding, Removing, and Modifying Charts ciated with the current chart, right click in the chart and select Properties from the menu that opens. The attributes for the x axis are shown in Figure 8.6 (p. 155).

To define a new name for the axis, specify it in the Title text-entry box. The Ticks group box allows you to specify whether you want to show gridlines in the chart (via the Show Grid option), and whether to display numbers for the axis markers (via the Show Ticks Label option). Note that the Show Grid option must be disabled in both axes' tabs to remove the gridlines. The Ticks group box also allows you to specify the Format and Precision of the numbers. Three formats are available for the numbers: Auto (i.e., as many decimal places as necessary) Scientific (e.g., 1.20e+001) Fixed (i.e., two decimal places)

The Range group box allows you to specify whether a linear or a logarithmic (base 10) scale is used for the axis (via the Logarithmic scale option). When the Auto-adjust option is enabled, the scale of the axis automatically adjusts to show all of the data points; when disabled, the axis only shows the range specified via the Min and Max number-entry boxes. The changes you specify will not take effect until you click Apply or OK in the Properties dialog box.

155

156

This chapter presents some guidelines for selecting an appropriate model and fitting the related parameters for several common applications. 9.1. Introduction 9.2.The Weissenberg Number 9.3. Viscometric and Rheometric Measurements 9.4. General Strategy for Fitting 9.5. Guidelines for Extrusion 9.6. Guidelines for Fiber Spinning 9.7. Guidelines for Film Casting 9.8. Guidelines for Blow Molding and Thermoforming

9.1. Introduction

There are several viscoelastic models available in ANSYS POLYMAT, as described in detail in Material Data Parameters (p. 47). These models involve linear and non-linear parameters, which in turn carry viscometric and extensional properties. It can often be a difficult task to select the best constitutive equation with the most appropriate material parameters. The task can be more easily addressed if it is broken into three smaller questions: how many modes, which constitutive equation, and which parameter settings. These questions implicitly assume that everything is known about the material being modeled, and that all properties are equally important, which is usually not the case. The purpose of this section is to suggest useful guidelines for the selection of a constitutive model and associated parameters. Two strategies are possible: you can evaluate the numerical values of parameters in order to match some experimental data in a given range, or you can try to fit all viscometric (and possibly elongational) measured data over a broad range. The two approaches lead more or less to the selection of a rheological model for a flow and the selection of a rheological model for a fluid, respectively. Although you may prefer one of these two approaches, useful guidelines can be found in both of them. Thus, the guidelines that follow will be presented on the basis of the flow being simulated. For example, the kinematics involved in profile extrusion is significantly different from that in blow molding or thermoforming. Indeed, swelling during extrusion results from a velocity rearrangement and normal stress difference developed in a shear flow, while blow molding involves an elongational component with a strain-hardening or strain-thinning response from the melt. Recommendations will be given for the four most-commonly encountered types of flow: extrusion (Guidelines for Extrusion (p. 161)), fiber spinning (Guidelines for Fiber Spinning (p. 163)), film casting (Guidelines for Film Casting (p. 165)), and blow molding/thermoforming processes (Guidelines for Blow Molding and Thermoforming (p. 165)).

Consider a flow whose typical kinematics is given by , and let be the relaxation time of the fluid. The Weissenberg number is given by

157

=

This number indicates the elasticity involved in a flow.

(91)

Important

Note that a polymer melt is characterized by a relaxation spectrum, rather than by a single , it is important to consider an adequate relaxation relaxation time. Hence, when evaluating time .

In general, you should obtain rheological measurements for the melt in the following order of importance: oscillatory properties (storage and loss moduli), steady-state shear viscosity, and transient uniaxial elongational viscosity. Of course, it is not always possible to obtain such an extensive range of measurements, which can often be costly. This section describes the following topics: 9.3.1. Oscillatory Properties 9.3.2. Steady-State Shear Viscosity 9.3.3.Transient Uniaxial Elongational Viscosity

The oscillatory properties (storage and loss moduli) should always be provided. For most polymer melts, the measurement of the oscillatory properties is easy. Storage and loss moduli are usually obtained over several decades. The most typical measurement device is the cone-plate rheometer. Measurements can be taken at one temperature if an isothermal model is being considered, or at various temperatures if a non-isothermal model is being considered.

The steady-state shear viscosity is also always needed. When possible, it should also be measured using capillary rheometry, and the data for shear viscosity vs. true shear rate should be obtained. If such an experiment is not feasible, you can instead extract information about shear viscosity from the empirical Cox-Merz rule [4] (p. 199), assuming that the modulus of the complex viscosity can be obtained from dynamic data. Even though the knowledge of the shear viscosity is not important for all processes, the automatic fitting procedure requires it. Extrapolating from measured quantities can provide additional data, but data should not be extrapolated over more than one decade.

If available, transient uniaxial elongational viscosity data are also useful. Data should be obtained by measuring at a constant strain rate or constant stretching velocity, which can be accomplished using equipment involving the EVF technology or of the Mnstedt type (e.g., filament stretching).

This section describes the following topics: 9.4.1. Weighting Measured Data 9.4.2. Assigning a Value to a Parameter 158

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General Strategy for Fitting 9.4.3. Relaxation Time vs. Relaxation Spectrum in Extrusion, Fiber Spinning, and Film Casting 9.4.4. Relaxation Time vs. Relaxation Spectrum in Blow Molding and Thermoforming

Once you have obtained the data described in Viscometric and Rheometric Measurements (p. 158), you can weight its importance within ANSYS POLYMAT, as described in Defining Numerical Parameters (p. 44). This is useful if, for example, there is some uncertainty about the data for a particular property, or if some data have been measured at a different temperature.

Material parameters are specified within a range of acceptable values. For example, viscosity factors must be positive. If the automatic fitting method is used, each material parameter can have three types of status: subject to fitting, initial value, or fixed value. By default, all parameters are subject to fitting, meaning that ANSYS POLYMAT will compute the best value based on the experimental data. If you have a priori knowledge of the value of a parameter, you can speed up the fitting calculation by assigning an initial value for it. Since there may be many parameters for a model, and there may be only a limited amount of experimental data available, it can be difficult to compute the best set of parameters. In this case, it is preferable to assign a fixed value to one or more parameters, so that they will not change during the fitting calculation. If the model involves only one relaxation time, its value can be either assigned or computed by ANSYS POLYMAT. For a multi-mode model, however, you will need to specify the spectrum of relaxation times yourself, or let it computed by ANSYS POLYMAT. In that last case, you have just to specify the minimum and maximum possible relaxation times. Next, there are non-linear parameters for the models. For the PTT model (described in Phan-Thien-Tanner Model (p. 88)), the parameters and control the elongational viscosity and viscometric properties, respectively: an increasing reduces or even cancels the strain hardening, while affects shear-thinning properties as well as the amount of second normal-stress difference. Based on your needs, knowledge, or available experimental data, you may want to fix these values. Typically, strain hardening occurs for to , and disappears for . For example, low values for should be specified for a LDPE, while moderate values are appropriate for a LLDPE or a HDPE. On the other hand, shear thinning occurs for non-zero values of , which usually is set to about 0.2. For practical purposes, it can be given a value of 0.5 or even as high as 1. The Giesekus model (described in Giesekus Model (p. 94)) involves the parameter , which simultaneously increases shear thinning and the second normal-stress difference while it reduces the strain-hardening property. Again, based on your needs, knowledge, or available experimental data, you can fix the value of . When viscometric properties are relevant for the flow, values of ranging from 0.2 to 0.8 are common. If elongational properties are needed, plays a role similar to in the PTT model, and very low values (10-3 to 10-2) should be considered if strain hardening is needed. For a PTT model with a non-zero value of or a Giesekus model with >0.5, as well as for the DCPP and the Leonov models, in both single- and multi-mode models, it is important to check whether the shear stress remains a monotonically increasing function of shear rate. A non-increasing shear stress can be corrected by adding a purely-Newtonian component to the stress tensor. The viscosity of this component is small: 1/9 of the zero-shear-rate viscosity for a single-mode model, and even less for a multi-mode model.

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159

Chapter 9: Guidelines for Viscoelastic Models The DCPP model (described in Differential Viscoelastic Models (p. 77)) involves the parameter , which simultaneously increases shear thinning and the second normal-stress difference while the parameter q increases the strain-hardening property. You can fix the value of and q, based on your requirements, knowledge, or available experimental data. When viscometric properties are relevant for the flow, values of ranging around 0.2 are reasonable. If elongational properties are needed, and in particular if strain hardening is needed, the parameter q should be increased; it reflects the number of branches, and thus affects the behavior in elongation. The Leonov model (described in Differential Viscoelastic Models (p. 77)) involves several non-linear parameters, affecting either the viscometric behavior or the elongation properties. You assign values to some of these non-linear parameters, based on your requirements, knowledge, or available experi mental data. Parameters q and affect the transition from trapped to free configuration of macromolecular chains. When viscometric properties are relevant for the flow, it is interesting to note that enhances the shear thinning property, while increases the viscosity. has no effect on the shear viscosity, while it contributes to a decrease of the elongational viscosity. If elongational properties are needed it can be noted that n increases the strain hardening, while b and m decrease it. It is possible that the fitting calculation may yield values for non-linear parameters that are unusual, although within the limits of accuracy. In this case, you should set these parameters to more appropriate fixed values, and rerun the fitting calculation. This will yield another set of parameters with the expected properties. In general, the fitting calculation will determine parameter values on the basis of the available experimental data. However, the available data do not necessarily include the operating conditions, as measurement techniques do not always allow for reaching the conditions present in the actual process. Fiber spinning is a typical example, where the melt is processed at strain rates much higher than those available for rheometric measurement. For such cases, you can extrapolate from available data.

9.4.3. Relaxation Time vs. Relaxation Spectrum in Extrusion, Fiber Spinning, and Film Casting

When a large amount of data is available, it can be tempting to build a rheological model involving a broad relaxation spectrum, even ranging up to 100 s or beyond. In most cases, this will be impractical and not very useful. Indeed, in a cessation of steady shear flow, measurements reveal that the relaxation mechanism occurs with a time scale on the order of , where is the actual shear rate involved in the experiment. This observation allows for the identification of a typical time scale for the description of mechanisms occurring in a flow characterized by a typical wall shear rate . Consequently, if a single-mode constitutive equation is selected, the corresponding relaxation time should be specified as about . For a multi-mode model, the relaxation times should be selected in the vicinity of . This is quite important, since a qualitative consequence is the doubtful relevance of Weissenberg numbers as high as 10 or 100. For most applications, the computational domain is open, with fluid entry and exit. The residence time of fluid particles in the computational domain usually remains moderate, so extremely long relaxation times are not usually effective. Fluid particles trapped in vortices usually do not affect the main flow; they are instead a consequence of it. Finally, in extrusion, the extruded material solidifies long before the effects of these long relaxation times become visible.

160

9.4.4. Relaxation Time vs. Relaxation Spectrum in Blow Molding and Thermoforming

Typical time scales for blow molding and thermoforming are rather short: from on the order of a tenth of a second for a milk bottle, to on the order of a few seconds for a gas tank. Hence, starting from a reasonable assumed initial rest state, stresses develop within that time interval. Although the deformation speed (and thus the strain rate) is usually unknown, deformations remain moderate. Consequently, dynamic or linear measurements alone provide a good characterization of the melt for blow molding and thermoforming. The selected spectrum of the rheological model may, of course, involve very short times and very long times. Actually, very short time scales (i.e., those smaller than the typical process time) can be replaced by a purely-Newtonian contribution. Similarly, long times (i.e., much longer than the process time) probably do not have the opportunity to develop their own contribution to the stress, and can be omitted, if necessary.

Transient and steady-state situations can be considered for 2D viscoelastic extrusion simulations, while it is reasonable to essentially consider steady-state flow situations in 3D. Transient extrusion processes are encountered in parison production, while steady-state conditions are met for profile extrusion. The guidelines in this section focus on steady-state cases. This section describes the following topics: 9.5.1. Important Effects 9.5.2. Recommended Experimental Data 9.5.3. Recommended Models and Parameters

9.5.1.1. 2D Extrusion

In 2D extrusion flows, velocity rearrangement affects the swelling at the die exit as well as the normalstress difference. The velocity profile in the channel results mainly from viscous forces, while the normal stress is a viscoelastic effect connected to the shear rate. The material may also exhibit properties such as strain thinning and strain hardening, but these effects in extrusion are negligible.

9.5.1.2. 3D Extrusion

In 3D extrusion flows, the normal-stress difference also plays a role in the swelling, but velocity rearrangements in 3D generate much more dramatic effects than in 2D. Indeed, a 3D cross-section may be such that the resulting velocity distribution is strongly non-uniform. Typically, low velocities are encountered in narrow cross-sections and tiny details, while high velocities are encountered in wide-open regions. At the die exit, significant deformations may occur, which usually lead to a further reduction of the previously-narrow cross-sections. Thus, more so in 3D than in 2D, an appropriate flow balancing inside the die (based on stresses, velocity, pressure, etc.) may improve the flow. Finally, as in 2D, the effects of the elongational properties are negligible, compared to those resulting from velocity rearrangement and normal-stress difference, and they can therefore be neglected.

161

The linear properties and non-linear shear viscosity provide good insight into the viscoelastic character of the material being extruded. Also, if the non-linear shear viscosity is not available, it can often be estimated using the Cox-Merz rule [4] (p. 199). For most materials, measurement of linear properties for frequencies ranging from 0.01 to 100 s-1 , or perhaps up to 1000 s-1 is achievable. If you consider a typical wall shear rate in the extrusion process, it is usually included within this range of measurements. Otherwise, extrapolation should be considered. For 3D flows, it is practical to select a computationally light" rheological model, to reduce the computational cost of the ANSYS POLYFLOW simulation. Hence, it is useful to identify a typical shear rate for the flow, and obtain viscometric data one decade on each side of this shear rate. Doing this implicitly reinforces the idea of a constitutive equation for a flow (rather than for a fluid). Consequently the fitted model for a given shear-rate decade will probably not be the best one for another shear-rate decade.

Consider the typical wall shear rate in the extrusion process. If a constant viscosity is observed around , the Maxwell or Oldroyd-B model is recommended. If shear thinning occurs around , the PTT or Giesekus model is recommended. If qualitative information on the macromolecular behavior is required, it can also be interesting to consider using the DCPP model. Both single- and multi-mode models are acceptable for a 2D model, but a single-mode model is strongly recommended for a 3D model. For a single-mode model, select a relaxation time on the order of one relaxation time <

. For a two-mode model, select

, with no more than one decade between relaxation times. For a three-mode (or more) model, select relaxation times < and > , with no more than one

decade between relaxation times. For a strain-hardening material (e.g., LDPE), a low value can be specified for the PTT models or the Giesekus models . Values of 10-3 to 10-2 are typical. For strain-thinning or moderate strain-hardening materials (e.g., LLDPE or HDPE), a higher valuetypically about 0.1can be specified. Also, for strain hardening materials, the DCPP model can be used with a large enough value of q (number of arms). For the simulation of the flow of filled materials, the use of the Leonov model can be a good idea. The model involves several parameters, and have received reasonable default values. It is worth mentioning that the Leonov model involves the calculation of several tensors, and that the use of a multi-mode model can be computationally expensive. Finally, for very large flow simulations, it may be relevant to consider the simplified viscoelastic model" suggested in Simplified Viscoelastic Model (p. 135), suited for extrusion simulation. Here, the identification of parameters is based on rheometric information, such as viscosity and swelling versus the flow rate. Typically, the first normal viscosity equals the shear viscosity by default, while a relaxation time function and a weighting factor have to be identified in order to reproduce the swelling behavior. In other words, a 2D axisymmetric flow simulation is required for parameters identification. In the automatic fitting procedure, it is preferable to consider the data in the range of shear rates of interest, typically one decade above and one below. If data extrapolation is necessary, it should be done over no more than one decade. Also, use appropriate weighting factors (see Weighting Measured Data (p. 159)) if some data are more reliable than others. 162

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Guidelines for Fiber Spinning The whole shear viscosity curve for the model may differ from measurements at low shear rates, but this can generally be disregarded, since low shear rates are encountered only in a few areas of the flow.

Transient and steady-state situations can be considered for 2D viscoelastic fiber-spinning simulations, while it is reasonable to essentially consider steady-state flow situations in 3D. Fiber spinning is a continuous process, so primarily steady-state simulations are relevant. The guidelines in this section will therefore focus on steady-state cases. This section describes the following topics: 9.6.1. Important Effects 9.6.2. Recommended Experimental Data 9.6.3. Recommended Models and Parameters

9.6.1.1. 2D Fiber Spinning

Several mechanisms are involved in 2D fiber spinning. First, a take-up velocity is assigned at the end of the computational domain. This velocity leads to significant geometric changes and to the development of the free surface. A swelling may develop at the die exit, but it is usually not a critical feature; it is quickly hindered or annihilated by the take-up (pulling) velocity. The take-up velocity plays a dominant role in the free jet. A transverse velocity gradient exists in the channel, while the free jet is endowed with an axial velocity gradient. The occurrence of a significant strain rate is typical for fiber spinning. Many melts involved in fiber spinning exhibit a more-or-less pronounced strain-hardening behavior. A moderate take-up velocity is sometimes applied in continuous extrusion processes (e.g., for guiding or stabilizing the extrudate). Here, the draw ratio is close to 1, and these cases should not be regarded as fiber spinning.

To some extent, 3D fiber spinning combines the effects encountered in 2D fiber spinning with some of those seen in 3D extrusion. In other words, the flow has a strong elongational component due to the take-up velocity, as well as effects resulting from the velocity rearrangement in the 3D geometry. This take-up velocity leads to significant geometric changes. A swelling may develop at the die exit, but it is usually not a critical feature; it is quickly hindered or annihilated by the take-up (pulling) velocity. The kinematics of 3D fiber spinning involves a transverse velocity gradient in the die, while the fiber itself is endowed with an axial velocity gradient. Consequently, the aspect ratio of some details in a cross-section of the fiber may differ significantly from the corresponding aspect ratio found at the die exit.

The elongational viscosity is important, perhaps even more so than the shear viscosity. This property can be measured for moderate strain rates (usually up to 10 s-1 using an elongational rheometer equipped with the EVF device), although the material is often processed at a much higher strain rate. This apparent difficulty can be overcome by considering the following heuristic argument. For a given melt, all curves of transient uniaxial elongational viscosity follow the same lower linear envelope, up to a Hencky strain

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Chapter 9: Guidelines for Viscoelastic Models of 1 or 2. It is therefore reasonable to believe that a similar behavior occurs at higher strain rates, regardless of whether the melt is strain-hardening or strain-thinning. This is a qualitative extrapolation, as the Gleissle mirror relationship is extended to the development of the transient elongational viscosity. The minimum experimental data needed for successful fitting are the linear properties and the nonlinear shear viscosity (possibly obtained from the Cox-Merz rule [4] (p. 199)). If data for the transient elongational viscosity are available, they should also be used. When all the properties are available, you can allocate a low weighting to the shear viscosity and a high weighting to the elongational properties (as described in Defining Numerical Parameters (p. 44)), since the elongational component in the fiber is more important.

The PTT and Giesekus models recommended for extrusion are also recommended for fiber spinning. The Oldroyd-B and Maxwell models are also good choices, especially for highly strain-hardening materials. Note that the White-Metzner model is not well-suited for fiber spinning because it is not able to properly model the elongational behavior of polymer melts. If qualitative information on the macromolecular behavior is required, it can also be interesting to consider using the DCPP model. Both single- and multi-mode models are acceptable for a 2D model, but a single-mode model is strongly recommended for a 3D model. For a 2D model, three modes are recommended, with the relaxation times no more than one decade apart. The flow involves a typical shear rate in the die and a typical elongation rate in the fiber itself. Two or more orders of magnitude may exist between these quantities. The elongational character should be focused on more carefully. For a single-mode model, select a relaxation time of about . For a multi-mode model, select one relaxation time < and one > , with no more than one decade between relaxation times. For a strongly strain-hardening material (e.g., LDPE), use a low strain rate with the Maxwell or OldroydB model, a low value of (typically 10-3 to 10-2) with the PTT model, or a low value of with the Giesekus model (typically 10-3 to 10-2). For strain-thinning or moderate strain-hardening materials (e.g., LLDPE or HDPE), use the PTT or Giesekus model with a higher valuetypically about 0.1 or morefor or . Also, for strain hardening materials, the DCPP model can be used with a large enough value of q (number of arms). Currently, the Leonov model and the simplified viscoelastic model" are not recommended for fiber spinning simulations. If data on elongational viscosity are available, they should be used. If the resulting values for the nonlinear parameters are not in agreement with the expected behavior of the melt, they can be fixed as noted in Assigning a Value to a Parameter (p. 159). In the automatic fitting procedure, it is preferable to consider the data in the range of frequencies and shear rates of interest, typically one decade above and one below. If data extrapolation is necessary, it should be done over no more than one decade. Also, use appropriate weighting factors (see Weighting Measured Data (p. 159)) if some data are more reliable than others. The shear viscosity curve for the model may differ from measurements, but this can generally be disregarded, since elongation is the main component of the flow.

164

This section describes the following topics: 9.7.1. Important Effects 9.7.2. Recommended Experimental Data 9.7.3. Recommended Models and Parameters

Film casting processes exhibit features that are very similar to those encountered in fiber spinning (described in Guidelines for Fiber Spinning (p. 163)). In other words, the extension results from a take-up velocity, which is significantly higher than the velocity at the die exit. An appropriate modeling approach for film casting in ANSYS POLYFLOW involves the use of a flat membrane element. Such an approach focuses on the development of the extruded film only, not on the flow inside the die.

Elongation is the component that dominates the flow, and a proper description of the elongational behavior of the material is needed, although draw ratios are usually lower than in fiber spinning. The comments about experimental data for fiber spinning are valid for film casting as well.

The PTT and Giesekus models recommended for fiber spinning are also recommended for film casting. The Oldroyd-B model is another acceptable choice. Also, the DCPP and Leonov models are not available for film casting applications. In addition, the simplified viscoelastic model is not suited for the simulation of film casting. If no experimental data are available for the elongational viscosity, the non-linear parameters should be fixed on the basis of known melt properties. Thus, for a strain-thinning melt, high values for the non-linear parameters are selected (typically for a PTT model or for a Giesekus model). For a strain-hardening melt, lower values should be used.

Any prediction of blow molding or thermoforming is based on a transient calculation. The melt undergoes deformations in time, and the process conditions (such as the closing speed of the mold and the inflation pressure) may also vary with time. In 2D, an axisymmetric geometry is usually used in the ANSYS POLYFLOW calculation, although a planar description can also be used. Such a representation enables calculation through the thickness, and thus prediction of the possible local shear effects. In 3D, a membrane element is used, since it allows for calculation of complex shapes at a moderate cost. This representation is suited for elongation-like deformations, but is unable to report shear deformations across the thickness. This section describes the following topics: 9.8.1. Important Effects 9.8.2. Recommended Experimental Data 9.8.3. Recommended Models and Parameters

165

In blow molding and thermoforming, extension is the dominating component of the deformation. Extension develops in two main directions, and is accompanied by a reduction in thickness. The magnitudes of the extensions in the main directions may differ, and they depend on the geometry. For example, inflating a cylinder involves an azimuthal extension field, while inflating a sphere involves an isotropic extension field. Since extension is the main component in this process, knowledge of the extensional response of the material is usually necessary. However, although the extension rates can be high, the overall deformation usually remains moderate. The Hencky strains are typically on the order of 1 or 2, which correspond to Cauchy strains up to 7.

Since the processes involve important strain rates and moderate extensions, knowledge of the transient linear extensional response is enough for the description of the melt rheology. In other words, knowledge of the linear properties is a good starting point. If extensional data are available, they can be used (either in the automatic fitting calculation, or for checking the results of the automatic fitting). The extensional viscosity can be measured for moderate strain rates (usually up to 10 s-1 using an elongational rheometer equipped with the EVF device), although the material is often processed at a much higher strain rate. For a 3D model, shear viscosity is also needed in the fitting procedure. This can be obtained from the Cox-Merz rule [4] (p. 199), and can be assigned a zero weight (see Weighting Measured Data (p. 159)).

Several modeling approaches can be considered. The constant-viscosity Newtonian model is the simplest approach, and this is recommended if no rheological data are available. The use of a generalized Newtonian fluid model should not be considered for blow molding or thermoforming, since such a model will lead to unrealistically high velocities due to strain thinning. Further modeling recommendations for 2D and 3D simulations are provided below.

In addition to the constant-viscosity Newtonian model, the Maxwell, Oldroyd-B, PTT, Giesekus, and DCPP models are all appropriate for blow molding and thermoforming. The White-Metzner model is not recommended, in view of the dependence of the rheological properties on the local kinematics. Although multi-mode simulations are available, for reasons of computational cost in ANSYS POLYFLOW, singlemode transient viscoelastic calculations are suggested, at least in first instance. The flow involves a typical time scale , corresponding to the inflation. The relaxation time should be of the same order of magnitude as this time scale. For the viscosity factor, select a value corresponding to the shear viscosity as obtained for a shear rate of 1/. For a strongly strain-hardening material (e.g., LDPE), use a low strain rate with the Maxwell or OldroydB model, a low value of (typically 103 to 102) with the PTT model, a low value of with the Giesekus model (typically 103 to 102), or a high value of q for the DCPP model. For strain-thinning or moderate

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Guidelines for Blow Molding and Thermoforming strain-hardening materials (e.g., LLDPE or HDPE), use the PTT or Giesekus model with a higher valuetypically about 0.1 or morefor or or the DCPP model with a low value of q. If data on elongational viscosity are available, they should be used. If the resulting values for the nonlinear parameters are not in agreement with the expected behavior of the melt, they can be fixed as noted in Assigning a Value to a Parameter (p. 159). In the automatic fitting procedure, it is preferable to consider the data in the range of frequencies and deformation rates of interest, typically one decade above and one below the value 1/. If data extrapolation is necessary, it should be done over no more than one decade. Also, use appropriate weighting factors (see Weighting Measured Data (p. 159)) if some data are more reliable than others. A purely-Newtonian contribution can be added to the model. This corresponds to that part of the spectrum associated with very short times, and the response of which is shorter than the process time itself. The shear viscosity curve for the model may differ from measurements, but this can generally be disregarded, since elongation is the main component of the flow.

For computational reasons, the use of the shell element (membrane element) is recommended for the simulation of blow molding and thermoforming. In addition to the constant-viscosity Newtonian model, the integral viscoelastic KBKZ model with a relaxation spectrum is also a good choice when a Lagrangian representation is used. No damping (i.e., the Lodge-Maxwell model) is needed, due to the moderate deformations involved in the process. The Lodge-Maxwell model predicts strain hardening up to a level that is experimentally observed. Based on the oscillatory properties, a spectrum of 4 to 8 relaxation times is recommended. If you use a low number of relaxation times, they should be selected around the typical process (inflation) time . If you use a high number of relaxation times, they can spread to values as short as 104 and as long as 104 s. Oscillatory data should be considered in the range of frequencies as covered by the range of reciprocal relaxation times. Viscosity factors should be identified on the basis of linear properties, as well as on the basis of the shear viscosity (possibly with a zero weighting). If data on elongational viscosity are available, they should be used. If the resulting values for the nonlinear parameters are not in agreement with the expected behavior of the melt, they can be fixed as noted in Assigning a Value to a Parameter (p. 159). A purely-Newtonian contribution can be added to the model. This corresponds to that part of the spectrum associated with very short times, and the response of which is shorter than the process time itself. The shear viscosity curve for the model may differ from measurements, but this can generally be disregarded, since elongation is the main component of the flow.

167

168

This chapter presents four examples of fitting for different types of models. 10.1. Example 1: Non-Isothermal Generalized Newtonian Model 10.2. Example 2: Non-Isothermal Differential Viscoelastic Model 10.3. Example 3: Non-Isothermal Integral Viscoelastic Model 10.4. Example 4: Isothermal Differential Viscoelastic Model

In this example, the automatic method will be used to perform fitting for a Carreau-Yasuda fluid with experimental data curves of shear viscosity vs. shear rate at four different temperatures. The CarreauYasuda law has been chosen for its plateau zone at low shear rates and its controllable transition zone. For temperature dependence, the Arrhenius shear-stress law has been chosen for its vertical and horizontal shifts. is fixed at 240C; it is recommended that you set it to one of the temperatures at which experimental data were measured, close to the average of those temperatures. Since the experimental , as required for proper scaling. data are based on degrees Celsius, is set to

Experimental data for shear viscosity vs. shear rate are as follows: temp=200.crv (viscosity vs. shear rate at 220 C):

60.1 497 131 336 315 198 767 110 1750 59.9 4100 31.3 9870 15.8 19700 9.02

58.8 381 125 274 299 169 723 98.3 1620 55.9 3910 29.2 9180 15.3 18400 8.97

56.5 287 121 211 286 137 643 90.3 1510 51.6 3750 26.8

169

8850 14.1 17700 8.39

56.8 228 117 171 269 121 654 77.1 1470 46.3 3590 24.9 8570 13.2 17100 7.9

The files for these data curves are provided on the ANSYS POLYFLOW product CD, in the test/polymat/example1 subdirectory.

Start ANSYS POLYMAT by typing polymat. Then follow the procedure below to perform the fitting for the data presented in Experimental Data (p. 169).

Select Fluid Model 1. Choose a Generalized Newtonian non-isothermal model. Generalized Newtonian non-isothermal model 2. Return to the top-level menu.

10.1.2.2. Step 2: Specify the Material Data Models and Fix Parameters

Material Data 1. Specify the shear-rate dependence. Shear-rate dependence of viscosity a. Select the Carreau-Yasuda law. Carreau-Yasuda law b. 2. Return to the Material Data menu.

Specify the temperature dependence. Temperature dependence of viscosity a. Select the Arrhenius shear stress law. Arrhenius shear stress law b. Enable the fixing of parameters.

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Example 1: Non-Isothermal Generalized Newtonian Model i. ii. c. Click the Fix button at the top of the ANSYS POLYMAT menu. Click OK to confirm that fixing is enabled.

Fix the value of to be 240. i. Specify = Modify talfa ii. Specify that is fixed. talfa is a fixed value iii. Return to the Arrhenius shear stress law menu. . . .

d.

Fix the value of to be i. Specify = Modify t0 ii. Specify that is fixed. t0 is a fixed value iii.

e.

Disable the fixing of parameters. i. ii. Click the Fix button at the top of the ANSYS POLYMAT menu. Click OK to confirm that fixing is disabled.

f.

1. Enter the Automatic Fitting menu. Automatic fitting 2. Enter the List of Experimental Curves menu. Add experimental curves 3. Add the first experimental curve (temp=200.crv). Add a new curve a. Select the curve named temp=200.crv. Enter the name of the curve file

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171

Chapter 10: Examples b. Set the reference temperature to 200. Modify the temperature c. 4. Return to the List of Experimental Curves menu.

Add the second experimental curve (temp=220.crv). Add a new curve a. Select the curve named temp=220.crv. Enter the name of the curve file b. Set the reference temperature to 220. Modify the temperature c. Return to the List of Experimental Curves menu.

5. 6. 7.

Repeat to add the third and fourth experimental curves (temp=240.crv and temp=260.crv) and set the appropriate reference temperatures. Return to the Automatic Fitting menu. Plot the four experimental data curves. Draw experimental curves

1. Specify a name for the material data file (e.g., example1.mat). Enter the name of the result file 2. Start the fitting calculation. Run fitting

10.1.2.5. Results

The results of the fitting calculation are as follows:

RESULTS

Carreau-Yasuda law f(g) = facinf + (fac-facinf) * [1+(tnat*g)**expoa]**((expo-1)/expoa) fac tnat expo facinf expoa = = = = = 0.1332193E+04 0.5920190E-02 0.2140585E-01 0.1497098E-06 0.3413773E+00 [auto] [auto] [auto] [auto] [auto]

172

h(t) = exp( alfa / (t-t0) - alfa / (talfa-t0) ) alfa talfa t0 = 0.5807041E+04 [auto] = 0.2400000E+03 [fixed] = -0.2731500E+03 [fixed]

The computed and experimental curves are shown in Figure 10.1 (p. 173).

In this example, the automatic method will be used to perform fitting for a non-isothermal differential viscoelastic model with experimental data curves of shear viscosity vs. shear rate at three different temperatures, plus data curves for the storage and loss moduli. The Giesekus model has been chosen according to fitting guidelines for a 2D extrusion simulation where shear thinning is desired (see Recommended Models and Parameters (p. 162)). Three relaxation times are used to fit the experimental curves properly, since multiple relaxation times are computationally affordable for 2D extrusion. The relaxation times are set automatically by ANSYS POLYMAT to cover the whole range of experimental data. The large relaxation time that ANSYS POLYMAT computes is useful only for low-shear-rate flows (up to 0.1 s ) with a long residence time (10 to 100 s). The viscosity ratio is set to zero for all relaxation modes, except for the first mode where it will be computed automatically by ANSYS POLYMAT. For temperature dependence, the standard Arrhenius law has been chosen. is automatically set to 220 C, which is one of the temperatures at which experimental data were measured, close to the average of those temperatures. Since the experimental data are based on degrees Celsius, is set to , as required for proper scaling.

Experimental data for shear viscosity vs. shear rate are as follows:

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173

Chapter 10: Examples visco_200.crv (viscosity vs. shear rate at 200 C):

1.0476158e-01 1.2618569e-01 1.5199111e-01 1.8307383e-01 2.2051308e-01 2.6560879e-01 3.1992671e-01 3.8535285e-01 4.6415886e-01 5.5908102e-01 6.7341506e-01 8.1113082e-01 9.7700995e-01 1.1768119e+00 1.4174742e+00 1.7073526e+00 2.0565124e+00 2.4770765e+00 2.9836473e+00 3.5938139e+00 4.3287611e+00 5.2140083e+00 6.2802911e+00 7.5646334e+00 9.1116276e+00 1.0974989e+01 1.3219412e+01 1.5922827e+01 1.9179104e+01 2.3101297e+01 2.7825592e+01 3.3516029e+01 4.0370174e+01 4.8626015e+01 5.8570202e+01 7.0548027e+01 8.4975342e+01 1.0235312e+02 4.7409219e+04 4.6221703e+04 4.4989727e+04 4.3684172e+04 4.2269406e+04 4.0711258e+04 3.8987227e+04 3.7095207e+04 3.5058137e+04 3.2921125e+04 3.0742695e+04 2.8582736e+04 2.6492119e+04 2.4505934e+04 2.2641396e+04 2.0899119e+04 1.9267033e+04 1.7725678e+04 1.6254397e+04 1.4836971e+04 1.3465704e+04 1.2142567e+04 1.0877272e+04 9.6834766e+03 8.5747520e+03 7.5614922e+03 6.6494995e+03 5.8398315e+03 5.1295151e+03 4.5126445e+03 3.9814446e+03 3.5272209e+03 3.1410603e+03 2.8143108e+03 2.5388992e+03 2.3074878e+03 2.1135415e+03 1.9513297e+03

1.0476158e-01 1.2618569e-01 1.5199111e-01 1.8307383e-01 2.2051308e-01 2.6560879e-01 3.1992671e-01 3.8535285e-01 4.6415886e-01 5.5908102e-01 6.7341506e-01 8.1113082e-01 9.7700995e-01 1.1768119e+00 1.4174742e+00 1.7073526e+00 2.0565124e+00 2.4770765e+00 2.9836473e+00 3.5938139e+00 4.3287611e+00 5.2140083e+00 6.2802911e+00 7.5646334e+00 9.1116276e+00 1.0974989e+01 1.3219412e+01 1.5922827e+01 3.2600383e+04 3.1866336e+04 3.1115115e+04 3.0347666e+04 2.9555596e+04 2.8722006e+04 2.7824447e+04 2.6839762e+04 2.5750273e+04 2.4550127e+04 2.3249219e+04 2.1873061e+04 2.0457902e+04 1.9043281e+04 1.7664730e+04 1.6348507e+04 1.5109322e+04 1.3950688e+04 1.2866907e+04 1.1846350e+04 1.0875361e+04 9.9421738e+03 9.0399053e+03 8.1679702e+03 7.3314004e+03 6.5386035e+03 5.7986880e+03 5.1192021e+03

174

1.9179104e+01 2.3101297e+01 2.7825592e+01 3.3516029e+01 4.0370174e+01 4.8626015e+01 5.8570202e+01 7.0548027e+01 8.4975342e+01 1.0235312e+02 4.5048770e+03 3.9573066e+03 3.4752805e+03 3.0554553e+03 2.6930635e+03 2.3825698e+03 2.1181692e+03 1.8941488e+03 1.7051194e+03 1.5461493e+03

1.0476158e-01 1.2618569e-01 1.5199111e-01 1.8307383e-01 2.2051308e-01 2.6560879e-01 3.1992671e-01 3.8535285e-01 4.6415886e-01 5.5908102e-01 6.7341506e-01 8.1113082e-01 9.7700995e-01 1.1768119e+00 1.4174742e+00 1.7073526e+00 2.0565124e+00 2.4770765e+00 2.9836473e+00 3.5938139e+00 4.3287611e+00 5.2140083e+00 6.2802911e+00 7.5646334e+00 9.1116276e+00 1.0974989e+01 1.3219412e+01 1.5922827e+01 1.9179104e+01 2.3101297e+01 2.7825592e+01 3.3516029e+01 4.0370174e+01 4.8626015e+01 5.8570202e+01 7.0548027e+01 8.4975342e+01 1.0235312e+02 2.2935412e+04 2.2492188e+04 2.2018766e+04 2.1526125e+04 2.1021365e+04 2.0505982e+04 1.9975033e+04 1.9417773e+04 1.8819420e+04 1.8164182e+04 1.7439488e+04 1.6640199e+04 1.5771608e+04 1.4849731e+04 1.3898310e+04 1.2944033e+04 1.2011361e+04 1.1118893e+04 1.0277535e+04 9.4904971e+03 8.7546172e+03 8.0624219e+03 7.4047461e+03 6.7733594e+03 6.1631475e+03 5.5731948e+03 5.0064775e+03 4.4684849e+03 3.9653857e+03 3.5024512e+03 3.0831277e+03 2.7087434e+03 2.3787000e+03 2.0908918e+03 1.8422029e+03 1.6289486e+03 1.4472250e+03 1.2931675e+03

Experimental data for the storage and loss moduli ( and gprime.crv ( vs. frequency curve at 220 C):

1.0000000e-01 1.5850000e-01 2.5120000e-01 3.9810000e-01 6.3100000e-01 1.0000000e+00 1.5850000e+00 2.5120000e+00 3.9813000e+00 6.3101000e+00 1.0001000e+01 1.5850000e+01 2.5121000e+01 3.9813000e+01 5.9316000e+02 1.1784000e+03 2.2076000e+03 3.9173000e+03 6.5593000e+03 1.0419000e+04 1.5724000e+04 2.2596000e+04 3.1232000e+04 4.1570000e+04 5.3470000e+04 6.6881000e+04 8.1509000e+04 9.7119000e+04

) are as follows:

175

6.3101000e+01 1.1352000e+05 1.0000000e+02 1.3036000e+05

to be replaced by : 1.0000000e-01 3.2158000e+03 1.5850000e-01 4.7820000e+03 2.5120000e-01 6.9325000e+03 3.9810000e-01 9.7403000e+03 6.3100000e-01 1.3239000e+04 1.0000000e+00 1.7346000e+04 1.5850000e+00 2.2001000e+04 2.5120000e+00 2.7050000e+04 3.9813000e+00 3.2279000e+04 6.3101000e+00 3.7352000e+04 1.0001000e+01 4.2321000e+04 1.5850000e+01 4.6851000e+04 2.5121000e+01 5.1123000e+04 3.9813000e+01 5.5108000e+04 6.3101000e+01 5.9097000e+04 1.0000000e+02 6.3270000e+04

The files for these data curves are provided on the ANSYS POLYFLOW product CD, in the test/polymat/example2 subdirectory.

Start ANSYS POLYMAT by typing polymat. Then follow the procedure below to perform the fitting for the data presented in Experimental Data (p. 173). Note that the fitting calculation for this example will take longer than for the generalized Newtonian example in Example 1: Non-Isothermal Generalized Newtonian Model (p. 169), due to the added complexity of the model.

Select Fluid Model 1. Choose a Differential non-isothermal viscoelastic model. Differential non-isothermal viscoelastic model 2. Return to the top-level menu.

10.2.2.2. Step 2: Specify the Material Data Models and Fix Parameters

Material Data 1. Specify the temperature dependence. Temperature dependence of viscosity a. Select the Arrhenius law. Arrhenius law

176

Example 2: Non-Isothermal Differential Viscoelastic Model b. Enable the fixing of parameters. i. ii. c. Click the Fix button at the top of the ANSYS POLYMAT menu. Click OK to confirm that fixing is enabled. . .

Fix the value of to be i. Specify = Modify t0 ii. Specify that is fixed. t0 is a fixed value iii.

d.

Disable the fixing of parameters. i. ii. Click the Fix button at the top of the ANSYS POLYMAT menu. Click OK to confirm that fixing is disabled.

e. 2.

Specify the differential viscoelastic models. Differential viscoelastic models a. Specify the differential viscoelastic model for the first relaxation mode and fix parameters. 1-st viscoelastic model i. Select the Giesekus model. Giesekus model ii. iii. b. Accept the current values. Return to the Differential viscoelastic models menu.

Specify the differential viscoelastic model for the second relaxation mode. Addition of a viscoelastic model i. Select the Giesekus model. Giesekus model ii. iii. Accept the current values. Return to the Differential viscoelastic models menu.

c.

Specify the differential viscoelastic model for the third relaxation mode and fix parameters.

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177

Chapter 10: Examples Addition of a viscoelastic model i. Select the Giesekus model. Giesekus model ii. iii. 3. Accept the current values. Return to the Differential viscoelastic models menu.

1. Enter the Automatic Fitting menu. Automatic fitting 2. Enter the List of Experimental Curves menu. Add experimental curves 3. Add the first experimental curve (visco_200.crv). Add a new curve a. Select the curve named visco_200.crv. Enter the name of the curve file b. Set the reference temperature to 200. Modify the temperature c. Specify that the curve is a shear viscosity curve. Modify the curve type i. Choose steady shear viscosity (the default). steady shear viscosity ii. 4. Return to the List of Experimental Curves menu.

Add the second experimental curve (visco_220.crv). Add a new curve a. Select the curve named visco_220.crv. Enter the name of the curve file b. Set the reference temperature to 220.

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178

Example 2: Non-Isothermal Differential Viscoelastic Model Modify the temperature c. Specify that the curve is a shear viscosity curve. Modify the curve type i. Choose steady shear viscosity (the default). steady shear viscosity ii. 5. 6. Return to the List of Experimental Curves menu.

Repeat to add the third shear viscosity curve (visco_240.crv) and set the appropriate reference temperature and curve type. Add the storage modulus curve (gprime.crv). Add a new curve a. Select the curve named gprime.crv. Enter the name of the curve file b. Set the reference temperature to 220. Modify the temperature c. Specify that the curve is a storage modulus curve. Modify the curve type i. Choose storage modulus G. storage modulus G ii. Return to the List of Experimental Curves menu.

7.

Add the loss modulus curve (gsecond.crv). Add a new curve a. Select the curve named gsecond.crv. Enter the name of the curve file b. Set the reference temperature to 220. Modify the temperature c. Specify that the curve is a loss modulus curve. Modify the curve type

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179

Chapter 10: Examples i. Choose loss modulus G". loss modulus G" ii. 8. 9. Return to the List of Experimental Curves menu.

Return to the Automatic Fitting menu. Plot the five experimental data curves. Draw experimental curves

10.2.2.4. Step 4: Set Numerical Options and Run the Fitting Calculation

1. Set the numerical parameters for the calculation. Numerical options for fitting a. Limit the range of relaxation times to be from a minimum of 0.1 to a maximum of 10. Modify the range of relaxation times b. 2. Return to the Automatic Fitting menu.

Specify a name for the material data file (e.g., example2.mat). Enter the name of the result file

3.

10.2.2.5. Results

The results of the fitting calculation are as follows:

RESULTS

nb. of modes = 3 mode # 1 - Giesekus model T = T1 + T2 (1+alfa*trelax/visc1*T1)*T1 + trelax*T1up = 2*visc1*D T2 = 2*visc2*D where - visc is the viscosity - visc1 = (1-ratio)*visc - visc2 = ratio*visc - trelax is the relaxation time - T1up is the upper-convected time derivative of T1 visc trelax alfa ratio = = = = 0.8395177E+04 0.1000000E+00 0.5175758E+00 0.8191842E-01 [auto] [auto] [auto] [auto]

180

(1+alfa*trelax/visc1*T1)*T1 + trelax*T1up = 2*visc1*D T2 = 2*visc2*D where - visc is the viscosity - visc1 = (1-ratio)*visc - visc2 = ratio*visc - trelax is the relaxation time - T1up is the upper-convected time derivative of T1 visc trelax alfa ratio = = = = 0.1901750E+05 0.1000000E+01 0.6759477E+00 0.0000000E+00 [auto] [auto] [auto] [fixed]

mode # 3 - Giesekus model T = T1 + T2 (1+alfa*trelax/visc1*T1)*T1 + trelax*T1up = 2*visc1*D T2 = 2*visc2*D where visc trelax alfa ratio = = = = visc is the viscosity visc1 = (1-ratio)*visc visc2 = ratio*visc trelax is the relaxation time T1up is the upper-convected time derivative of T1 0.9246148E+04 0.1000000E+02 0.3902228E+00 0.0000000E+00 [auto] [auto] [auto] [fixed]

Arrhenius law h(t) = exp( alfa / (t-t0) - alfa / (talfa-t0) ) alfa talfa t0 = 0.5019328E+04 [auto] = 0.2200000E+03 [auto] = -0.2731500E+03 [fixed]

The computed and experimental curves are shown in Figure 10.2 (p. 181).

181

In this example, the automatic method will be used to perform fitting for an integral viscoelastic model with experimental data curves of shear viscosity vs. shear rate at three different temperatures, plus data curves for the storage and loss moduli. The KBKZ model with 4 relaxation times will be used with the reversible PSM damping function. For temperature dependence, the Arrhenius approximate law will be used. ANSYS POLYMAT will automatically set the value of to 220 C, since this is the average temperature of the viscosity curves. For the fitting calculation, the range of relaxation times will be limited to between 0.1 and 10.

Experimental data for shear viscosity vs. shear rate are as follows: visco_200.crv (viscosity vs. shear rate at 200 C):

1.0476158e-01 1.5199111e-01 2.2051308e-01 3.1992671e-01 4.6415886e-01 6.7341506e-01 9.7700995e-01 1.4174742e+00 2.0565124e+00 2.9836473e+00 4.3287611e+00 6.2802911e+00 9.1116276e+00 1.3219412e+01 1.9179104e+01 2.7825592e+01 4.0370174e+01 5.8570202e+01 8.4975342e+01 4.7409219e+04 4.4989727e+04 4.2269406e+04 3.8987227e+04 3.5058137e+04 3.0742695e+04 2.6492119e+04 2.2641396e+04 1.9267033e+04 1.6254397e+04 1.3465704e+04 1.0877272e+04 8.5747520e+03 6.6494995e+03 5.1295151e+03 3.9814446e+03 3.1410603e+03 2.5388992e+03 2.1135415e+03

1.0476158e-01 1.5199111e-01 2.2051308e-01 3.1992671e-01 4.6415886e-01 6.7341506e-01 9.7700995e-01 1.4174742e+00 2.0565124e+00 2.9836473e+00 4.3287611e+00 6.2802911e+00 9.1116276e+00 1.3219412e+01 1.9179104e+01 2.7825592e+01 4.0370174e+01 5.8570202e+01 8.4975342e+01 3.2600383e+04 3.1115115e+04 2.9555596e+04 2.7824447e+04 2.5750273e+04 2.3249219e+04 2.0457902e+04 1.7664730e+04 1.5109322e+04 1.2866907e+04 1.0875361e+04 9.0399053e+03 7.3314004e+03 5.7986880e+03 4.5048770e+03 3.4752805e+03 2.6930635e+03 2.1181692e+03 1.7051194e+03

182

1.0476158e-01 1.5199111e-01 2.2051308e-01 3.1992671e-01 4.6415886e-01 6.7341506e-01 9.7700995e-01 1.4174742e+00 2.0565124e+00 2.9836473e+00 4.3287611e+00 6.2802911e+00 9.1116276e+00 1.3219412e+01 1.9179104e+01 2.7825592e+01 4.0370174e+01 5.8570202e+01 8.4975342e+01

2.2935412e+04 2.2018766e+04 2.1021365e+04 1.9975033e+04 1.8819420e+04 1.7439488e+04 1.5771608e+04 1.3898310e+04 1.2011361e+04 1.0277535e+04 8.7546172e+03 7.4047461e+03 6.1631475e+03 5.0064775e+03 3.9653857e+03 3.0831277e+03 2.3787000e+03 1.8422029e+03 1.4472250e+03

Experimental data for the storage and loss moduli ( and gprime.crv ( vs. frequency curve at 220 C):

0.1 593.16 0.1585 1178.4 0.2512 2207.6 0.3981 3917.3 0.631 6559.3 1 10419 1.585 15724 2.512 22596 3.9813 31232 6.3101 41570 10.001 53470 15.85 66881 25.121 81509 39.813 97119 63.101 113520 100 130360

) are as follows:

0.1 3215.8 0.1585 4782 0.2512 6932.5 0.3981 9740.3 0.631 13239 1 17346 1.585 22001 2.512 27050 3.9813 32279 6.3101 37352 10.001 42321 15.85 46851 25.121 51123 39.813 55108 63.101 59097 100 63270

The files for these data curves are provided on the ANSYS POLYFLOW product CD, in the test/polymat/example3 subdirectory.

183

Start ANSYS POLYMAT by typing polymat. Then follow the procedure below to perform the fitting for the data presented in Experimental Data (p. 182). Note that the fitting calculation for this example will take longer than for the generalized Newtonian example in Example 1: Non-Isothermal Generalized Newtonian Model (p. 169), due to the added complexity of the model.

Select Fluid Model 1. Choose an Integral non-isothermal viscoelastic model. Integral non-isothermal viscoelastic model 2. Return to the top-level menu.

10.3.2.2. Step 2: Specify the Material Data Models and Fix Parameters

Material Data 1. Enter the Integral Viscoelastic models menu. Integral Viscoelastic models 2. Specify the temperature dependence. Temperature dependence a. Select the Arrhenius approximate law. Arrhenius approximate law b. 3. Return to the Integral Viscoelastic models menu.

Specify the number of relaxation modes. Modify the spectrum a. Set the number of relaxation modes to 4. Number of relaxation modes b. Return to the Integral Viscoelastic models menu. No modification

4.

184

Example 3: Non-Isothermal Integral Viscoelastic Model a. Select the Reversible Papanastasiou-Scriven model. Reversible Papanastasiou-Scriven model b. Select the Modify alfa and Modify beta menu items, and keep the default values for each. (This step is necessary so that ANSYS POLYMAT will not remind you that you need to set or confirm those values by selecting the menu items.) Return to the Integral Viscoelastic models menu.

c. 5.

1. Enter the Automatic Fitting menu. Automatic fitting 2. Enter the List of Experimental Curves menu. Add experimental curves 3. Add the first experimental curve (visco_200.crv). Add a new curve a. Select the curve named visco_200.crv. Enter the name of the curve file b. Set the reference temperature to 200. Modify the temperature c. Specify that the curve is a shear viscosity curve. Modify the curve type i. Choose steady shear viscosity (the default). steady shear viscosity ii. 4. Return to the List of Experimental Curves menu.

Add the second experimental curve (visco_220.crv). Add a new curve a. Select the curve named visco_220.crv. Enter the name of the curve file b. Set the reference temperature to 220.

185

Chapter 10: Examples Modify the temperature c. Specify that the curve is a shear viscosity curve. Modify the curve type i. Choose steady shear viscosity (the default). steady shear viscosity ii. 5. 6. Return to the List of Experimental Curves menu.

Repeat to add the third shear viscosity curve (visco_240.crv) and set the appropriate reference temperature and curve type. Add the storage modulus curve (gprime.crv). Add a new curve a. Select the curve named gprime.crv. Enter the name of the curve file b. Set the reference temperature to 220. Modify the temperature c. Specify that the curve is a storage modulus curve. Modify the curve type i. Choose storage modulus G. storage modulus G ii. Return to the List of Experimental Curves menu.

7.

Add the loss modulus curve (gsecond.crv). Add a new curve a. Select the curve named gsecond.crv. Enter the name of the curve file b. Set the reference temperature to 220. Modify the temperature c. Specify that the curve is a loss modulus curve. Modify the curve type

186

Example 3: Non-Isothermal Integral Viscoelastic Model i. Choose loss modulus G". loss modulus G" ii. 8. 9. Return to the List of Experimental Curves menu.

Return to the Automatic Fitting menu. Plot the five experimental data curves. Draw experimental curves

10.3.2.4. Step 4: Set Numerical Options and Run the Fitting Calculation

1. Set the numerical parameters for the calculation. Numerical options for fitting a. Limit the range of relaxation times to be from a minimum of 0.1 to a maximum of 10. Modify the range of relaxation times b. 2. Return to the Automatic Fitting menu.

Specify a name for the material data file (e.g., example3.mat). Enter the name of the result file

3.

10.3.2.5. Results

The results of the fitting calculation are as follows:

RESULTS

Integral Viscoelastic models Integral viscoelastic flow Type of model : KBKZ model N2 / N1 = 0.0000000E+00 [auto] ad.visc. = 0.7632522E+03 [auto] Damping function : Reversible Papanastasiou - Scriven alfa = 0.6365238E+01 [auto] beta = 0.0000000E+00 [auto] Number of relaxation modes = 4 Mode - Viscosity - Relaxation 1 6.63042E+03 [auto] 1.00000E-01 2 7.89786E+03 [auto] 4.64159E-01 3 1.51692E+04 [auto] 2.15443E+00 4 4.68693E+03 [auto] 1.00000E+01

187

Arrhenius approximate law h(t) = exp( -alfa * (t - talfa) ) alfa = 0.2150435E-01 [auto] talfa = 0.2200000E+03 [auto]

The computed and experimental curves are shown in Figure 10.3 (p. 188).

In this example, the automatic method is used to perform fitting for a differential viscoelastic model with experimental data curves of shear viscosity vs. shear rate, data curves for the storage and loss moduli, plus curves of stress vs. Hencky strain. In order to obtain these curves, measure the forces and deformations of a sample stretched with a constant pulling velocity in a uniaxial mode. In this set-up, the strain rate diminishes with time as shown in the following equation:

+ =

(101)

where

=

+

(102)

where is the length of the sample at time . The Giesekus model with 4 relaxation times is used. For the fitting calculation, the range of relaxation times is limited to between 0.01 and 100 s. 188

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Experimental data for shear viscosity vs. shear rate are as follows: Visc.crv

9.9999998e-03 1.5848933e-02 2.5118863e-02 3.9810721e-02 6.3095726e-02 1.0000000e-01 1.5848932e-01 2.5118864e-01 3.9810717e-01 6.3095737e-01 1.0000000e+00 1.5848932e+00 2.5118864e+00 3.9810719e+00 6.3095737e+00 1.0000000e+01 1.5848933e+01 2.5118862e+01 3.9810719e+01 6.3095726e+01 1.0000000e+02 5.7942590e+04 5.7463543e+04 5.6368508e+04 5.4127902e+04 5.0320945e+04 4.5214285e+04 3.9707617e+04 3.4520855e+04 2.9743750e+04 2.5129584e+04 2.0666746e+04 1.6676426e+04 1.3395818e+04 1.0758137e+04 8.5443789e+03 6.6362754e+03 5.0658618e+03 3.8541172e+03 2.9273818e+03 2.1740850e+03 1.5363018e+03

Experimental data for storage and loss moduli (G and G") are as follows : G1.crv (G vs. frequency curve)

9.9999998e-03 1.5848933e-02 2.5118863e-02 3.9810721e-02 6.3095726e-02 1.0000000e-01 1.5848932e-01 2.5118864e-01 3.9810717e-01 6.3095737e-01 1.0000000e+00 1.5848932e+00 2.5118864e+00 3.9810719e+00 6.3095737e+00 1.0000000e+01 1.5848933e+01 2.5118862e+01 3.9810719e+01 6.3095726e+01 1.0000000e+02 3.5167976e+01 8.7100800e+01 2.1137102e+02 4.8953040e+02 1.0309354e+03 1.8629243e+03 2.8503687e+03 3.9749304e+03 5.6332231e+03 8.4511943e+03 1.2569028e+04 1.7147389e+04 2.1693041e+04 2.7440998e+04 3.6552094e+04 4.9613684e+04 6.4043047e+04 7.8277656e+04 9.6098992e+04 1.2392985e+05 1.6244308e+05

9.9999998e-03 1.5848933e-02 2.5118863e-02 3.9810721e-02 6.3095726e-02 1.0000000e-01 1.5848932e-01 2.5118864e-01 3.9810717e-01 6.3095737e-01 1.0000000e+00 1.5848932e+00 2.5118864e+00 3.9810719e+00 5.7939490e+02 9.1043549e+02 1.4132689e+03 2.1352705e+03 3.0668875e+03 4.1247217e+03 5.3469106e+03 7.0692012e+03 9.6275000e+03 1.2890045e+04 1.6170969e+04 1.9267887e+04 2.3409984e+04 2.9933691e+04

189

6.3095737e+00 1.0000000e+01 1.5848933e+01 2.5118862e+01 3.9810719e+01 6.3095726e+01 1.0000000e+02 3.8417832e+04 4.6432570e+04 5.2870504e+04 6.0886148e+04 7.3567648e+04 8.7799180e+04 9.3189672e+04

Experimental data for stress vs. Hencky strain are as follows: Stress_01.crv (stress vs. Hencky strain with mode)

9.9950028e-04 3.4975763e-03 4.3310076e-03 5.1519061e-03 5.9449933e-03 6.6795419e-03 7.2960192e-03 7.7497927e-03 8.1741009e-03 9.0343673e-03 1.0988208e-02 1.7310996e-02 2.5077807e-02 3.2225050e-02 3.8228299e-02 4.2950768e-02 4.7312122e-02 5.5426948e-02 7.3435947e-02 1.2336361e-01 1.6961214e-01 2.0687814e-01 2.4421628e-01 3.1127003e-01 4.4549382e-01 6.0200286e-01 7.3499125e-01 9.2299604e-01 1.1368132e+00 1.3128684e+00 1.4625189e+00 1.5926619e+00 1.7078016e+00 1.8110423e+00 1.9046148e+00 1.9901757e+00 2.0689895e+00 2.1420429e+00 2.2101209e+00 2.2738583e+00 2.3337755e+00 2.3903048e+00 2.3978953e+00 4.7493774e+02 1.1649296e+03 1.3302749e+03 1.4737156e+03 1.6005024e+03 1.7103892e+03 1.7980840e+03 1.8603550e+03 1.9169126e+03 2.0268396e+03 2.2556704e+03 2.8492520e+03 3.4017185e+03 3.8135403e+03 4.1159541e+03 4.3344062e+03 4.5241104e+03 4.8511318e+03 5.4840532e+03 6.7618486e+03 7.5459292e+03 7.9897729e+03 8.3163574e+03 8.7072051e+03 9.0984199e+03 9.1738301e+03 8.9499355e+03 8.2168379e+03 7.0296606e+03 5.9730420e+03 5.1118062e+03 4.4254043e+03 3.8785447e+03 3.4393530e+03 3.0826299e+03 2.7892783e+03 2.5450134e+03 2.3391619e+03 2.1637117e+03 2.0126024e+03 1.8812087e+03 1.7659636e+03 1.7510774e+03

9.9503305e-03 3.5282198e-02 4.3344986e-02 4.4380169e-02 5.0368823e-02 5.4894730e-02 6.2509246e-02 8.1463300e-02 1.3814193e-01 1.8773396e-01 2.2752298e-01 4.7317754e+03 1.1698975e+04 1.3279960e+04 1.3467764e+04 1.4504699e+04 1.5241891e+04 1.6408148e+04 1.9005615e+04 2.5006209e+04 2.8923967e+04 3.1489385e+04

190

2.8311470e-01 4.0201676e-01 5.8976156e-01 7.4152720e-01 9.5612168e-01 1.1944033e+00 1.3866911e+00 1.5479001e+00 1.6866928e+00 1.8085489e+00 1.9171560e+00 2.0151145e+00 2.1043277e+00 2.1862297e+00 2.2619283e+00 2.3322980e+00 2.3980396e+00 2.4597244e+00 2.5178244e+00 2.5727334e+00 2.6247835e+00 2.6742580e+00 2.7213998e+00 2.7664189e+00 2.8094983e+00 2.8507981e+00 2.8904600e+00 2.9286084e+00 2.9653549e+00 3.0007987e+00 3.0350292e+00 3.0398252e+00 3.0445225e+00 3.4498039e+04 3.9637305e+04 4.5542875e+04 4.8620051e+04 5.0665562e+04 5.0673203e+04 4.9045047e+04 4.6442348e+04 4.3383812e+04 4.0245000e+04 3.7241980e+04 3.4473777e+04 3.1970490e+04 2.9727072e+04 2.7722971e+04 2.5932439e+04 2.4329539e+04 2.2890289e+04 2.1593441e+04 2.0420559e+04 1.9355818e+04 1.8385701e+04 1.7498678e+04 1.6684896e+04 1.5935935e+04 1.5244557e+04 1.4604533e+04 1.4010480e+04 1.3457726e+04 1.2942199e+04 1.2460345e+04 1.2394070e+04 1.2329443e+04

9.9950028e-04 6.0874340e-03 1.1150699e-02 1.7656896e-02 2.4453657e-02 3.4632608e-02 4.4532828e-02 5.6003418e-02 6.9556937e-02 8.5579991e-02 1.0387585e-01 1.3146825e-01 1.9615518e-01 3.0259091e-01 6.4501029e-01 1.0591307e+00 1.4779303e+00 1.7722136e+00 1.9992969e+00 2.1842365e+00 2.3402529e+00 2.4751813e+00 2.5940497e+00 2.7002776e+00 2.7962968e+00 2.8838987e+00 2.9644408e+00 3.0389767e+00 3.1083403e+00 3.1732030e+00 3.2341137e+00 3.2915263e+00 3.3458207e+00 3.3973186e+00 4.6545542e+03 5.1004746e+03 8.9122051e+03 1.1150112e+04 1.6401330e+04 2.4217082e+04 2.8274932e+04 3.6161609e+04 4.1835988e+04 4.9879168e+04 5.7453828e+04 6.7541008e+04 8.6601953e+04 1.1047721e+05 1.6648053e+05 2.1380906e+05 2.4456852e+05 2.5255466e+05 2.5105683e+05 2.4327736e+05 2.3121462e+05 2.1701552e+05 2.0233612e+05 1.8816394e+05 1.7497670e+05 1.6294345e+05 1.5206948e+05 1.4228305e+05 1.3348239e+05 1.2555956e+05 1.1841162e+05 1.1194519e+05 1.0607776e+05 1.0073742e+05

191

3.4462938e+00 3.4929821e+00 3.5375874e+00 3.5802877e+00 3.6212392e+00 3.6605794e+00 3.6984303e+00 3.7349007e+00 3.7700875e+00 3.8040783e+00 3.8369517e+00 3.8687785e+00 3.8996236e+00 3.9176843e+00 9.5861930e+04 9.1397508e+04 8.7297773e+04 8.3522602e+04 8.0037242e+04 7.6811484e+04 7.3819000e+04 7.1036742e+04 6.8444508e+04 6.6024469e+04 6.3760898e+04 6.1639836e+04 5.9648879e+04 5.8512105e+04

The files for these data curves are provided on the ANSYS POLYFLOW product CD, in the /test/polymat/example4 subdirectory.

Start ANSYS POLYMAT by typing polymat. Then follow the procedure described below to perform the fitting for the data presented in Experimental Data (p. 189).

Note

The fitting calculation for this example will take significant time, due to the transient elongational curves added for the fitting.

Select Fluid Model 1. Choose Differential viscoelastic model. Differential viscoelastic model 2. Return to the top-level menu.

Material Data 1. Enter the Differential viscoelastic models menu. Differential viscoelastic models 2. Specify the first viscoelastic model. 1-st viscoelastic model a. Select the Giesekus model. Giesekus model b. Accept the current values.

Release 14.0 - SAS IP, Inc. All rights reserved. - Contains proprietary and confidential information of ANSYS, Inc. and its subsidiaries and affiliates.

192

Example 4: Isothermal Differential Viscoelastic Model Accept current values c. Return to the Differential viscoelastic models menu. Upper level menu 3. Specify the second, third and fourth viscoelastics models of type Giesekus. Addition of a viscoelastic model

Note

You do not have to change values of the different modes. They will be fitted automatically later. 4. Return to the top-level ANSYS POLYMAT menu.

1. Enter the Automatic Fitting menu. Automatic fitting 2. Enter the List of Experimental Curves menu. Add experimental curves 3. Add the first experimental curve (visc.crv). Add a new curve a. Select the curve named visc.crv. Enter the name of the curve file b. Specify that the curve is a shear viscosity curve. Modify the curve type i. Choose steady shear viscosity (the default). steady shear viscosity ii. 4. Return to the List of Experimental Curves menu.

Add the second experimental curve (g1.crv). Add a new curve a. Select the curve named g1.crv.

193

Chapter 10: Examples Enter the name of the curve file b. Specify that the curve is a storage modulus curve. Modify the curve type i. Choose storage modulus G. storage modulus G ii. 5. Return to the List of Experimental Curves menu.

Add the third experimental curve (g2.crv). Add a new curve a. Select the curve named g2.crv. Enter the name of the curve file b. Specify that the curve is a loss modulus curve. Modify the curve type i. Choose loss modulus G". loss modulus G" ii. Return to the List of Experimental Curves menu.

6.

Add the fourth experimental curve (stress_01.crv). Add a new curve a. Select the curve named stress_01.crv. Enter the name of the curve file b. Specify that the curve is a transient extensional flow curve. Modify the curve type i. Choose transient extensional flow. transient extensional flow ii. iii. In this menu, choose uniaxial mode, stress vs. strain [ln(l/lo)], and constant extensional velocity. In the menu Experimental curve #4, modify the initial strain rate (V/lo) and set it to 0.1. Modify the initial strain rate (V/lo)

194

Example 4: Isothermal Differential Viscoelastic Model iv. 7. Return to the List of Experimental Curves menu.

Add the fifth experimental curve (stress_1.crv). Add a new curve a. Select the curve named stress_1.crv. Enter the name of the curve file b. Specify that the curve is a transient extensional flow curve. Modify the curve type i. Choose transient extensional flow. transient extensional flow ii. iii. In this menu, choose uniaxial mode, stress vs. strain [ln(l/lo)], and constant extensional velocity. In the menu Experimental curve #5, modify the initial strain rate (V/lo) and set it to 1. Modify the initial strain rate (V/lo) iv. Return to the List of Experimental Curves menu.

8.

Add the sixth experimental curve (stress_10.crv). Add a new curve a. Select the curve named stress_10.crv. Enter the name of the curve file b. Specify that the curve is a transient extensional flow curve. Modify the curve type i. Choose transient extensional flow. transient extensional flow ii. iii. In this menu, choose uniaxial mode, stress vs. strain [ln(l/lo)], and constant extensional velocity. In the menu Experimental curve #5, modify the initial strain rate (V/lo) and set it to 10. Modify the initial strain rate (V/lo) iv. Return to the List of Experimental Curves menu.

195

10. Plot the six experimental data curves. Draw experimental curves The curves will be presented in two graphics: In the first one, you can see the steady shear viscosity, G and G"; while in the second, you can see the extensional curves.

10.4.2.4. Step 4: Set Numerical Options and Run the Fitting Calculation

1. Set the numerical parameters for the calculation. Numerical options for fitting a. Limit the range of relaxation times to be from a minimum of 0.01 to a maximum of 100. Modify the range of relaxation times b. 2. Return to the Automatic Fitting menu.

Specify a name for the material data file (e.g., example4.mat). Enter the name of the result file

3.

10.4.2.5. Results

The results of the fitting calculation are as follows:

RESULTS nb. of modes = 4 mode # 1 - Giesekus model T = T1 + T2 (1+alfa*trelax/visc1*T1)*T1 + trelax*T1up = 2*visc1*D T2 = 2*visc2*D where visc trelax alfa ratio = = = = visc is the viscosity visc1 = (1-ratio)*visc visc2 = ratio*visc trelax is the relaxation time T1up is the upper-convected time derivative of T1 0.1940853E+04 0.1000000E-01 0.7392697E+00 0.2350520E-04 [auto] [auto] [auto] [auto]

mode # 2 - Giesekus model T = T1 + T2 (1+alfa*trelax/visc1*T1)*T1 + trelax*T1up = 2*visc1*D T2 = 2*visc2*D where - visc is the viscosity - visc1 = (1-ratio)*visc - visc2 = ratio*visc

196

- trelax is the relaxation time - T1up is the upper-convected time derivative of T1 visc trelax alfa ratio = = = = 0.1129548E+05 0.2154435E+00 0.6407529E+00 0.0000000E+00 [auto] [auto] [auto] [fixed]

mode # 3 - Giesekus model T = T1 + T2 (1+alfa*trelax/visc1*T1)*T1 + trelax*T1up = 2*visc1*D T2 = 2*visc2*D where visc trelax alfa ratio = = = = visc is the viscosity visc1 = (1-ratio)*visc visc2 = ratio*visc trelax is the relaxation time T1up is the upper-convected time derivative of T1 0.4098902E+05 0.4641589E+01 0.4906601E+00 0.0000000E+00 [auto] [auto] [auto] [fixed]

T = T1 + T2 (1+alfa*trelax/visc1*T1)*T1 + trelax*T1up = 2*visc1*D T2 = 2*visc2*D where visc trelax alfa ratio = = = = visc is the viscosity visc1 = (1-ratio)*visc visc2 = ratio*visc trelax is the relaxation time T1up is the upper-convected time derivative of T1 0.4973851E+04 0.1000000E+03 0.4113689E+00 0.0000000E+00 [auto] [auto] [auto] [fixed]

The computed and experimental curves are shown in Figure 10.4 (p. 197) and Figure 10.5 (p. 198).

Figure 10.4 Computed and Experimental Curves for Steady Shear Viscosity, Storage Modulus and Loss Modulus

197

Figure 10.5 Computed and Experimental Curves for Stress vs. ln(1/lo) at Different Initial Strain Rates (0.1,1, and 10).

198

Bibliography

[1] R. B. Bird, P. J. Dotson, and N. L. Johnson.J Non-Newtonian Fluid Mech. 7:213. 1980. [2] N. Clemeur, R. P. G. Rutgers, and B. Debbaut.On the Evaluation of Some Differential Formulations for the Pompom Constitutive Model. Rheol Acta. 42(1). 217231. 2003. [3] P. Coussot, A. I. Leonov, and J. M. Piau. Rheology of Concentrated Dispersed Systems in a Low Molecular Weight Matrix. J Non-Newtonian Fluid Mech. 46. 179217. 1993. [4] W. P. Cox and E. H. Merz. J Polym Sci. 28:619. 1958. [5] G. S. Fulcher. J Am Ceram Soc. 8(6). 339355. 1925. [6] T. C .B. McLeish and R. C. Larson. Molecular Constitutive Equations for a Class of Branched Polymers The Pom-Pom Polymer. J Rheo. 42(1). 82112. 1998. [7] M. Simhambathla and A. I. Leonov. On the Rheological Modeling of Filled Polymers with Particle-Matrix Interactions. Rheol Acta. 34. 329338. 1995. [8] M. V. Simhambhatla. The Rheological Modeling of Simple Flows of Unfilled and Filled Polymers. PhD Thesis University of Akron. 1994. [9] M. H. Wagner. A Constitutive Analysis of Uniaxial Elongational Flow Data of Low-Density Polyethylene Melt. J Non-Newtonian Fluid Mech. 4. 3955. 1978.

199

200

Index

A

adding charts, 152 ANSYS DesignModeler, 3 ANSYS FIPOST, 3 ANSYS FLUENT/CFD-Post, 23 ANSYS Meshing, 3 ANSYS POLYCURVE, 5 graphical user interface, 24 ANSYS POLYDATA, 23 ANSYS POLYFLOW, 23 ANSYS POLYMAN, 3 ANSYS POLYMAT, 23 chart buttons, 21 chart window, 22 curve buttons, 22 curve list, 23 curve settings, 23 graphical user interface, 17 help, 18 menu, 21 menu bar, 18 menu buttons, 20 output text window, 24 ANSYS POLYPLOT, 3 ANSYS POLYSTAT, 23 approximate Arrhenius law, 64 approximate Arrhenius shear-stress law, 66 Arrhenius law, 63 approximate, 64 Arrhenius shear-stress law, 65 approximate, 66 automatic fitting, 37, 42 examples, 13, 169, 173, 182, 188 numerical parameters, 44 weighting data, 44 axes attributes, 154 linear scale, 155 logarithmic scale, 155 range, 154 scale, 155 scaling, 154 axis, 149

C

CAMPUS files, 31 Carreau-Yasuda law, 61 Cauchy-Green strain tensor, 122 CFView-PF, 3 chart axes, 154 chart buttons, 21 chart window, 22 charts, 149, 152 adding, 152 legend, 153 range, 154 removing, 152 scaling, 154 title, 153 concrete, 54, 56 consistency factor, 52, 55, 84 copying curves, 151 Create a New Curve dialog box, 150 critical shear rate, 47, 53, 55 Cross law, 58 index, 58 modified, 58 curve buttons, 22 curve list, 23 curve settings, 23 curves, 149150 computing, 38 copying, 151 defining, 150 deleting, 151 drawing, 45 experimental, 150 reading, 27, 29 experimental drawing, 45 exporting, 151 modifying data pairs, 151 modifying display attributes, 23 moving, 151 removing, 151 saving, 30, 151 weighting, 44

B

biaxial extensional flow, 144 transient viscosity, 148 Bingham law, 53 modified, 54

D

damping function, 125 DataVisualizer, 3 defining curves, 150 deleting charts, 152 201

Index deleting curves, 151 differential viscoelastic flow, 75 example of fitting, 173 example of fitting with extensional curves, 188 FENE-P model, 98 Giesekus model, 94 Johnson-Segalman model, 89 Maxwell model, 78 Oldroyd-B model, 81 Phan-Thien-Tanner model, 88 temperature-dependent viscosity, 118 White-Metzner model, 83 Doi-Edwards model, 124 dough, 54, 56 Draw menu button, 20 CAMPUS, 31 experimental data, 27 format, 27 reading, 27, 29 saving, 30 units for, 35 material data, 3 reading and writing, 31 reading and writing, 27 film casting, 160, 165 first normal-stress coefficient, 142 first normal-stress difference, 47, 142 fitting, 37 automatic, 37, 42 examples, 13, 169, 173, 182, 188 automatic numerical parameters, 44 automatic weighting data, 44 examples, 169, 173, 182, 188 guidelines, 157 blow molding, 161, 165 extrusion, 160161 fiber spinning, 160, 163 film casting, 160, 165 thermoforming, 161, 165 methods, 37 non-automatic, 37 example, 6 non-automatic numerical parameters, 38 relaxation times, 44 strategy, 158 weighting data, 159 Fix menu button, 20, 43 Fulcher law, 66

E

Edit <name> dialog box, 151 elongational strain rate, 143 elongational viscosity, 47 estimated relaxation time, 142 examples, 5, 169 isothermal differential viscoelastic model, 188 isothermal generalized Newtonian model, 5 non-isothermal differential viscoelastic model, 173 non-isothermal generalized Newtonian model, 169 non-isothermal integral viscoelastic model, 182 experimental data, 27 defining, 150 file format, 27 for blow molding, 166 for extrusion, 162 for fiber spinning, 163 for film casting, 165 for thermoforming, 166 measuring, 158 reading, 27, 29 saving, 30 units for, 35 exporting curves, 151 extensional flow steady, 143 steady numerical parameters, 38 transient, 148 transient numerical parameters, 39 extra-stress tensor, 50 extrusion, 160161

G

GAMBIT, 2 generalized Newtonian flow, 49 approximate Arrhenius law, 64 approximate Arrhenius shear-stress law, 66 Arrhenius law, 63 Arrhenius shear-stress law, 65 Bingham law, 53 modified, 54 Bird-Carreau law, 51 Carreau-Yasuda law, 61 Cross law, 58 modified, 58 example of fitting, 169 Fulcher law, 66 Herschel-Bulkley law, 55 modified, 56 Leonov model, 110

F

FENE-P model, 98 fiber spinning, 160, 163 files, 27 202

log-log law, 59 mixed-dependence law, 73 modified Bingham law, 54 modified Cross law, 58 modified Herschel-Bulkley law, 56 POM-POM model [DCPP], 105 power law, 52 shear-rate-dependent viscosity, 50 temperature-dependent viscosity, 62 WLF law, 70 WLF shear-stress law, 72 Giesekus model, 94 glass, 66 graphical user interface (GUI), 17 ANSYS POLYCURVE, 24 ANSYS POLYMAT, 17 graphics display window, 22 GUI, 17 ANSYS POLYCURVE, 24 ANSYS POLYMAT, 17 guidelines for fitting, 157 blow molding, 161, 165 extrusion, 160161 fiber spinning, 160, 163 film casting, 160, 165 thermoforming, 161, 165

J

Johnson-Segalman model, 89

K

KBKZ model, 125 kernel function, 122 kinematics, 141

L

LDPE, 159, 162, 164 legend, 153 Leonov Model, 110 linear scale, 38, 155 LLDPE, 159, 162, 164 Lodge-Maxwell model, 125 log-log law, 59 logarithmic scale, 38, 155 loss modulus, 47, 146, 158

M

magnifying the view, 22 manuals, x material data file, 3 reading and writing, 31 material data parameters, 47 differential viscoelastic flow, 75 fixing, 43 generalized Newtonian flow, 49 integral viscoelastic flow, 121 overview, 47 setting, 40 simplified viscoelastic flow, 135 Maxwell model, 78 measuring data, 158 memory function, 122 menu, 21 menu bar, 18 menu buttons, 20 mixed-dependence law, 73 modified Bingham law, 54 modified Cross law, 58 modified Herschel-Bulkley law, 56 modifying curves data pairs, 151 display attributes, 23 Move or Copy Curve(s) dialog box, 151 moving curves, 151 mud, 54, 56

H

HDPE, 159, 162, 164 help, 18 Herschel-Bulkley law, 55 modified, 56

I

I-deas, 3 infinite-shear-rate viscosity, 51, 61 integral viscoelastic flow, 121 damping function, 125 Doi-Edwards model, 124 example of fitting, 182 KBKZ model, 125 Lodge-Maxwell model, 125 Papanastasiou-Scriven-Macosko model, 125 temperature-dependent viscosity, 135 Wagner model, 126 isothermal flow example of fitting with extensional curves, 188 iterations maximum number, 44

N

natural time, 51, 58, 61, 84

Release 14.0 - SAS IP, Inc. All rights reserved. - Contains proprietary and confidential information of ANSYS, Inc. and its subsidiaries and affiliates.

203

Index Newtonian flow, 50 Newtonian viscosity, 50 non-automatic fitting, 37 example, 6 numerical parameters, 38 non-isothermal flow example of fitting, 169, 173, 182 experimental data for, 40, 42 normal-stress coefficient, 142 transient, 147 normal-stress difference, 47, 142 transient, 147 numerical parameters, 38, 44 Numerics menu button, 20, 38 time, 78, 160161 estimated, 142 relaxation times activation of fitting, 44 removing charts, 152 removing curves, 151 rheological properties, 141 rheometric measurements, 158 Rheometry menu button, 20, 38

S

sample session, 5 Save curve dialog box, 151 saving curves, 151 saving files, 27 second normal-stress coefficient, 142 second normal-stress difference, 142 setting up a problem, 4 examples, 5, 169, 173, 182, 188 shear flow oscillatory, 146, 158 oscillatory numerical parameters, 38, 44 steady, 141 steady numerical parameters, 38, 44 transient, 146 transient numerical parameters, 38 shear rate, 141 critical, 47, 53, 55 transient, 147 shear stress, 142 transient, 147 shear thinning, 56, 124, 159, 162, 173 shear viscosity, 47, 142, 158 transient, 147 simplified viscoelastic flow, 135 starting ANSYS POLYCURVE, 5 ANSYS POLYMAT, 4 steady extensional flow, 143 numerical parameters, 38 steady shear flow, 141 numerical parameters, 38, 44 storage modulus, 47, 146, 158 strain hardening, 157, 159, 161167 strain rate elongational, 143 strain thinning, 157, 161166

O

Oldroyd-B model, 81 oscillatory shear flow, 146, 158 numerical parameters, 38, 44 output text window, 24

P

Papanastasiou-Scriven-Macosko model, 125 PATRAN, 3 Phan-Thien-Tanner model, 88 planar extensional flow, 145 transient viscosity, 148 planning the analysis, 3 plotting curves, 149 POLYCEM, 3 polyethylene, 53 POLYMESH, 3 POM-POM Model [DCPP], 105 power law, 52 index, 5152, 55, 84 POWERMESH, 3 problem setup, 4 examples, 5, 169, 173, 182, 188 program structure, 2 Properties dialog box, 153154 pulling velocity, 163

R

rate-of-deformation tensor, 50, 76 reading curves automatic fitting method, 29 non-automatic fitting method, 27 recoverable stress, 49, 142 relaxation mode, 125 spectrum, 160161

T

take-up velocity, 163 temperature-dependent viscosity, 62, 118, 135 thermoforming, 161, 165

204

third-party attributions, 18 toothpaste, 54, 56 transient extensional flow, 148 numerical parameters, 39 transient flow numerical parameters, 38, 44 transient shear flow, 146 numerical parameters, 38 translating the view, 22 tutorials, 5, 169, 173, 182, 188 typographical conventions in the manual, xi

U

uniaxial extensional flow, 143 transient viscosity, 148, 158 units, 33 converting, 33 restrictions, 35 user interface, 17 ANSYS POLYCURVE, 24 ANSYS POLYMAT, 17 using the manual, ix

constant, 50 Cross law, 58 differential viscoelastic flow, 77 extensional, 143, 145 Fulcher law, 66 generalized Newtonian flow, 50 Herschel-Bulkley law, 5556 infinite-shear-rate, 51, 61 integral viscoelastic flow, 123 Leonov model, 110 log-log law, 59 mixed-dependence law, 73 modified Bingham law, 54 modified Cross law, 58 modified Herschel-Bulkley law, 56 Newtonian, 50 POM-POM model [DCPP], 105 power law, 52 shear-rate-dependent, 50 temperature-dependent, 62, 118, 135 WLF law, 70 WLF shear-stress law, 72 zero-shear-rate, 5051, 5859, 61

V

V3DMSH, 3 viscoelastic flows damping function, 125 Doi-Edwards model, 124 FENE-P model, 98 Giesekus model, 94 Johnson-Segalman model, 89 KBKZ model, 125 Lodge-Maxwell model, 125 Maxwell model, 78 memory effects, 78 numerical parameters, 44 Oldroyd-B model, 81 Papanastasiou-Scriven-Macosko model, 125 Phan-Thien-Tanner model, 88 Wagner model, 126 White-Metzner model, 83 viscometric measurements, 158 viscometric properties, 47, 141 viscosity approximate Arrhenius law, 64 approximate Arrhenius shear-stress law, 66 Arrhenius law, 63 Arrhenius shear-stress law, 65 Bingham law, 53 modified, 54 Bird-Carreau law, 51 Carreau-Yasuda law, 61

W

Wagner model, 126 weighting, 44, 159 Weissenberg number, 49, 157 White-Metzner model, 83 WLF law, 70 WLF shear-stress law, 72 writing files, 27

Y

yield stress, 53, 55

Z

zero-shear-rate viscosity, 5051, 5859, 61 zooming in, 22

205

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