Introduction to Aspen Plus

Physical Properties

Physical Properties
Introduction to Aspen Plus

©2003 AspenTech. All Rights Reserved.

Lesson Objectives
• Introduce property methods and physical property parameters • Identify issues involved in the choice of a property method • Cover the use of Property Analysis for reporting physical properties

Aspen Plus References: User Guide, Chapter 7, Physical Property Methods User Guide, Chapter 8, Physical Property Parameters and Data User Guide, Chapter 29, Analyzing Properties
©2003 AspenTech. All Rights Reserved.

© 2003 AspenTech. All Rights Reserved.

8–1

Aspen Technology, Inc.

000 How to Establish Physical Properties Choose a Property Method Check Parameters/Obtain Additional Parameters Confirm Results Create the Flowsheet ©2003 AspenTech. OVHD FEED COLUMN Specification: 99. All Rights Reserved.000 11 520. .5 mole % acetone recovery BTMS Ideal Approach Predicted number of stages required Approximate cost ($) ©2003 AspenTech. 8–2 Aspen Technology.Introduction to Aspen Plus Physical Properties Case Study – Acetone Recovery • Correct choice of physical property models and accurate physical property parameters are essential for obtaining accurate simulation results.000 Activity Coefficient Model 42 880. Inc. © 2003 AspenTech. All Rights Reserved. All Rights Reserved. Equation of State Approach 7 390.

Property Methods • A Property Method is a collection of models and methods used to calculate physical properties. . Inc. 8–3 Aspen Technology. • Users can modify existing Property Methods or create new ones. ©2003 AspenTech. • Property – Calculated physical property value.Introduction to Aspen Plus Physical Properties Definition of Terms • Property Method – Set of property models and methods used to calculate the properties required for a simulation. • Property Methods containing commonly used thermodynamic models are provided in Aspen Plus. ©2003 AspenTech. • Property Set (Prop-Set) – A method of accessing properties so that they can be used or tabulated elsewhere. such as mixture enthalpy. All Rights Reserved. All Rights Reserved. All Rights Reserved. • Property Model – Equation or equations used to calculate a physical property. • Property Parameter – Constant used in a property model. © 2003 AspenTech.

All Rights Reserved..g. Ideal vs. Polarity. Non-Ideal Behavior • What do we mean by ideal behavior? – Ideal Gas law and Raoult’s law • Which systems behave as ideal? – Non-polar components of similar size and shape • What controls degree of non-ideality? – Molecular interactions. size and shape of the molecules • How can we study the degree of non-ideality of a system? – Property plots (e. ©2003 AspenTech. 8–4 Aspen Technology. Inc. All Rights Reserved. e. All Rights Reserved.g. © 2003 AspenTech. TXY & XY) y x ©2003 AspenTech. .Introduction to Aspen Plus Physical Properties Physical Property Models • Approaches to representing physical properties of components Physical Property Models Ideal Equation of State (EOS) Models Activity Coefficient Models Special Models • Choice of model types depends on degree of non-ideal behavior and operating conditions..

• Any supercritical components or light gases (CO2. 8–5 Aspen Technology.ROB – RK-SOAVE – Activity Coefficient Models Good for liquid phase modeling only Can represent highly non-ideal liquids Many binary parameters required Binary parameters are highly temperature dependent Inconsistent in critical region Examples: NRTL UNIFAC – UNIQUAC – WILSON – – ©2003 AspenTech. • It is used to determine the amount of a supercritical component or light gas in the liquid phase. Henry's Law • Henry's Law is only used with ideal and activity coefficient models. N2. All Rights Reserved. • The Henry's components list ID should be entered on Properties Specifications Global sheet in the Henry Components field. All Rights Reserved.) should be declared as Henry's components (Components Henry Comps Selection sheet). etc.Introduction to Aspen Plus Physical Properties Comparison of EOS and Activity Models Equation of State Models Good for vapor phase modeling and liquids of low polarity Limited in ability to represent non-ideal liquids Fewer binary parameters required Parameters extrapolated reasonably with temperature Consistent in critical region Examples: PENG. . Inc. © 2003 AspenTech. ©2003 AspenTech. All Rights Reserved.

8–6 Aspen Technology. more detailed guidelines for choosing a property Method. Chapter 7. PENG-ROB NRTL-RK. All Rights Reserved. ©2003 AspenTech. gives similar.Introduction to Aspen Plus Physical Properties Choosing a Property Method – Review Do you have any polar components in your system? N Y Use EOS Model Y Are the operating conditions near the critical region of the mixture? N Do you have light gases or supercritical components in your system? Y References: Aspen Plus User Guide. . N Use activity coefficient model Use activity coefficient model with Henry’s Law Choosing a Property Method – Example System Propane. Water Model Type Equation of State Activity Coefficient Activity Coefficient Property Method RK-SOAVE. Butane Benzene. Carbon Dioxide Water. UNIQUAC NRTL-RK. All Rights Reserved. Toluene Acetone. Water. © 2003 AspenTech. All Rights Reserved. Water Benzene. Water Acetone. Cyclohexane Ethane. WILSON • Choose an appropriate Property Method for the following systems of components at ambient conditions: System Ethanol. Propanol Property Method ©2003 AspenTech. Ethane. Physical Property Methods. Inc.

Pure Component Parameters • Represent attributes of a single component • Input in the Properties Parameters Pure Component folder.Introduction to Aspen Plus Physical Properties How to Establish Physical Properties Choose a Property Method Check Parameters/Obtain Additional Parameters Confirm Results Create the Flowsheet ©2003 AspenTech. etc. All Rights Reserved.) • Parameters retrieved into the Graphical User Interface by selecting Retrieve Parameter Results from the Tools menu. . SOLIDS. ASPENPCD. (The selected databanks are listed on the Components Specifications Databanks sheet. All Rights Reserved. All Rights Reserved. © 2003 AspenTech. 8–7 Aspen Technology. • Examples – Scalar: MW for molecular weight – Temperature-Dependent: PLXANT for parameters in the extended Antoine vapor pressure model ©2003 AspenTech. Inc. • Stored in databanks such as PURE10.

• Select Retrieve Parameter Results from the Tools menu to retrieve all parameters for the components and property methods defined in the simulation. • The parameters are viewed on the Properties Parameters Results forms.Introduction to Aspen Plus Physical Properties Binary Parameters • Used to describe interactions between two components • Input in the Properties Parameters Binary Interaction folder • Stored in binary databanks such as VLE-IG. Inc. ©2003 AspenTech. • All results that are currently loaded will be lost. Displaying Property Parameters • Aspen Plus does not display all databank parameters on the parameter input forms. © 2003 AspenTech. • Parameter forms that include data from the databanks must be viewed before the flowsheet is complete. All Rights Reserved. They can be regenerated by running the simulation again. 8–8 Aspen Technology. LLE-ASPEN • Parameter values from the databanks can be viewed on the input forms in the Graphical User Interface. All Rights Reserved. All Rights Reserved. . • Examples – Scalar: RKTKIJ for the Rackett model – Temperature-Dependent: NRTL for parameters in the NRTL model ©2003 AspenTech.

All Rights Reserved.) The parameters are listed under the heading PARAMETER VALUES in the physical properties section of the report file. On the Setup Report Options Property sheet. equations. 1 1 1 1 1 STANDARD API GRAVITY IONIC CHARGE STIEL POLAR FACTOR DIFFERENCE BETWEEN LIQUID AND SOLID CP AT TRIPLE POINT IDEAL GAS GIBBS ENERGY OF FORMATION VALUE 28. 3. ©2003 AspenTech. 2. © 2003 AspenTech.rep) file by selecting Export from the File menu. Select Retrieve Parameter Results from the Tools menu.Introduction to Aspen Plus Physical Properties Reporting Parameters • To get a Report of the retrieved parameters in a text file: 1.00000E+00 0.31942 30. and sources of data. All Rights Reserved. Inc. Choose to display report for Simulation and click OK.rep file using any text editor. All Rights Reserved. Reporting Physical Property Parameters • To obtain a report file containing values of ALL pure component and binary parameters for ALL components used in a simulation: 1. 8–9 Aspen Technology. PHYSICAL PROPERTIES SECTION PROPERTY PARAMETERS ------------------PARAMETERS ACTUALLY USED IN THE SIMULATION PURE COMPONENT PARAMETERS ------------------------COMPONENT ID: BENZENE FORMULA: C6H6 SCALAR PARAMETERS ----------------PARAM NAME API CHARGE CHI DCPLS DGFORM SET DESCRIPTIONS NO. (From the Graphical User Interface. export a report (*. Edit the . you can choose Report from the View menu. Select Report from the View menu. 2.00000E+00 0.500 0. After running the simulation.954 CAL/MOL-K KCAL/MOL UNITS SOURCE PURE10 AQUEOUS DEFAULT PURE10 PURE10 NAME: C6H6 ©2003 AspenTech. select All physical property parameters used (in SI units) or select Property parameters’ descriptions. .

All Rights Reserved. Click OK to connect to the internet. 5. Enter your components. Phase equilibria data Azeotropic data – Excess properties – PVT data – – • – Data is received into Aspen Plus Scalar data is entered on Property Parameters forms. 6. Check the box of the data set you desire. 3. contains the world’s most comprehensive single source of thermophysical properties. then click the DETHERM Interface button on the toolbar. – Temperature dependent and Binary data sets are entered on the Properties Data forms. and click Next>. maintained by DECHEMA.’ ©2003 AspenTech. © 2003 AspenTech. Interface to DETHERM Example (1) • The interface is launched from within Aspen Plus to access data via the Internet. 4. All Rights Reserved. . • Data can be regressed using Aspen Plus Data Regression ©2003 AspenTech. Choose the desired property from Available Properties list. Inc. All Rights Reserved. Click on ‘proceed to login and download the data cart. Choose Selected Components.Introduction to Aspen Plus Physical Properties Additional Property Data from DETHERM • DETHERM databank. 1. 2. 8 – 10 Aspen Technology.

Inc. 8 – 11 Aspen Technology. All Rights Reserved. The data are then transferred into Aspen Plus.Introduction to Aspen Plus Physical Properties Interface to DETHERM Example (2) 7. Users are charged for each set of data that is downloaded. © 2003 AspenTech. All Rights Reserved. All Rights Reserved. ©2003 AspenTech. . How to Establish Physical Properties Choose a Property Method Check Parameters/Obtain Additional Parameters Confirm Results Create the Flowsheet ©2003 AspenTech. Enter your user ID information and password.

4 0.8 1 LIQUID MOLEFRAC METHANOL 0 0. All Rights Reserved.2 0.6 0.Introduction to Aspen Plus Physical Properties Property Analysis • Used to generate simple property diagrams to validate physical property models and data • Diagram Types – Pure component. temperature – Binary. remember to choose Vapor-LiquidLiquid as Valid phases.8 1 LIQUID MOLEFRAC ETHANOL 0 0.2 0. i.7 PSI) (PRES = 14.8 VAPOR MOLEFRAC TOLUENE 0. ©2003 AspenTech. i. All Rights Reserved. Property Analysis Plots • Predicting non-ideal behavior: Ideal XY Plot: VAPOR MOLEFRAC METHANOL 0.6 0. © 2003 AspenTech.8 1 LIQUID MOLEFRAC TOLUENE • When using a binary analysis to check for liquid-liquid phase separation.2 0. Inc.4 0.. vapor pressure vs.4 0. • Property analysis input and results can be saved as a form for later reference and use.6 0.e.e.. ©2003 AspenTech.8 1 XY Plot showing an Azeotrope : y-x diagram for ETHANOL / TOLUENE VAPOR MOLEFRAC ETHANOL 1 0.7 PSI) (PRES = 14.6 0. 8 – 12 Aspen Technology. TXY.6 0.2 0.2 0.8 1 XY Plot showing two Liquid phases: y-x diagram for TOLUENE / WATER y-x diagram for METHANOL / PROPANOL (PRES = 14. All Rights Reserved.4 0. .7 PSI) 0 0. PXY – Ternary residue maps • Select Analysis from the Tools menu to begin Analysis.4 0.6 0.4 0.2 0.

All Rights Reserved.Introduction to Aspen Plus Physical Properties How to Establish Physical Properties Choose a Property Method Check Parameters/Obtain Additional Parameters Confirm Results Create the Flowsheet ©2003 AspenTech. etc. 8 – 13 Aspen Technology. Confirm Results – Verify choice of Property Method and physical property data using Physical Property Analysis ©2003 AspenTech. Obtain Additional Parameters – Possible data sources include: – – – Literature searches (DETHERM. Inc. . Choose Property Method – Select a Property Method based on: – – – Components present in simulation Operating conditions in simulation Available data or parameters for the components 2. Check Parameters – Determine parameters available in Aspen Plus databanks 3. Establishing Physical Properties – Review 1. All Rights Reserved. © 2003 AspenTech.) Regression of experimental data (Data Regression) Property Constant Estimation (Property Estimation) 4. All Rights Reserved.

Chapter 4. All Rights Reserved. • Current property set applications include: – Design specifications. MultiFrac. • Use property sets to report thermodynamic. has a complete list of properties that can be included in a property set. Property Sets. MHeatX. or set. All Rights Reserved. transport. etc. of properties as an object with a user-given name. Properties Included in Prop-Sets • Properties commonly included in property sets include: – VFRAC – BETA – CPMX – MUMX Molar vapor fraction of a stream Fraction of L1 to total liquid for a mixture Constant pressure heat capacity for a mixture Viscosity for a mixture • Available properties include: – Thermodynamic properties of components in a mixture – Pure component thermodynamic properties – Transport properties – Electrolyte properties – Petroleum-related properties Reference: Aspen Plus Physical Property Data Reference Manual.Introduction to Aspen Plus Physical Properties Property Sets • A property set (Prop-Set) is a way of accessing a collection. Only the name of the property set is referenced when using the properties in an application. Inc. . All Rights Reserved.) ©2003 AspenTech. © 2003 AspenTech. etc. sensitivity – Stream reports – Physical property tables (Property Analysis) – Tray properties (RadFrac. Fortran blocks. 8 – 14 Aspen Technology. ©2003 AspenTech.) – Heating/cooling curves (Flash2. and other property values.

where applicable. PL) Vapor-liquid-liquid equilibrium ©2003 AspenTech. – The Search button can be used to search for a property. Specifying Property Sets • Use the Properties Prop-Sets form to specify properties in a property set. ©2003 AspenTech. – All specified qualifiers apply to each selected property. Inc. All Rights Reserved. All Rights Reserved. All Rights Reserved.Introduction to Aspen Plus Physical Properties Predefined Property Sets • Some simulation templates contain predefined property sets. CPMX. KMX) Transport properties Vapor-liquid equilibrium (PHIMX. © 2003 AspenTech. GAMMA. 8 – 15 Aspen Technology. • The predefined property sets and the types of properties they contain for the General template are: Property Set HXDESIGN THERMAL TXPORT VLE VLLE Types of Properties Heat exchanger design Mixture thermal (HMX. .

© 2003 AspenTech. All Rights Reserved. 8 – 16 Aspen Technology. – Click Property Sets button to specify names of property sets containing additional properties to be reported for each stream. Inc. • In addition to the standard property features available in Aspen Plus. ©2003 AspenTech.Introduction to Aspen Plus Physical Properties Stream Results Options • On the Setup Report Options Stream sheet: – Check the Flow Basis and Fraction Basis boxes to specify how stream composition is reported. All Rights Reserved. Aspen Properties includes: – Excel Interface – Web Interface • Excel Interface is an Excel Add-In that has Excel functions to do property calculations such as: – Flash at a given set of conditions – Calculate a property such as density or viscosity • Web Interface is currently only available for pure components. . ©2003 AspenTech. All Rights Reserved. Aspen Properties • Aspen Properties is now a stand-alone product.

8 – 17 Aspen Technology. Choose an appropriate Property Method to represent this system. It is known that water and oil form two liquid phases under the conditions in the tank. Retrieve the physical property parameters used in the simulation and determine the critical temperature for carbon dioxide and water. Physical Properties Workshop (2) 1. ©2003 AspenTech. . TC(carbon dioxide) = _______. 4. Check to see that the required binary physical property parameters are available. 2. Use a Flash3 block to represent the tank. Set up a simulation to model the settling tank. ©2003 AspenTech. for all streams. The inlet stream to the tank also contains some carbon-dioxide and nitrogen. All Rights Reserved. Modify the stream report to include the constant pressure heat capacity (CPMX) for each phase (Vapor. All Rights Reserved. 5. verify that the chosen physical property model and the available parameters predict the formation of 2 liquid phases. All Rights Reserved. © 2003 AspenTech. TC(water) = _______ 3. and have the following flow rates of the various components: Water Oil CO2 N2 515 lb/hr 4322 lb/hr 751 lb/hr 43 lb/hr • Use n-decane to represent the oil. Inc. • A refinery has a settling tank that they use to decant off the water from a mixture of water and a heavy oil. 1st Liquid and 2nd Liquid). 1 atm). and the fraction of L1 to total liquid for a mixture (BETA). The tank and feed are at ambient temperature and pressure (70°F. Using the property analysis feature.Introduction to Aspen Plus Physical Properties Physical Properties Workshop (1) • Objective: Simulate a two-liquid phase settling tank and investigate the physical properties of the system.

. Click on the Range/List button and vary temperature from 50 to 400°F. Detailed instructions are provided on the following slide. Inc. Tabulate a new property set that includes: a. Define component flows of 1 lbmol/hr for both water and oil. using forms. 8 – 18 Aspen Technology. • In addition to the interactive Analysis commands under the Tools menu. Set Valid phases to Vapor-liquid-liquid. Generate points along a flash curve. All Rights Reserved. Create a Generic property analysis from the Properties/Analysis Object manager. 3. © 2003 AspenTech. • Tabulate the vapor pressure of the components in the same table. – ©2003 AspenTech. – Manually generating a Generic Property Analysis is similar to the interactive Analysis commands. Physical Properties Workshop (4) Problem Specifications: 1. you also can create a Property Analysis manually. Pure component vapor pressures of water and oil (PL) c. 4. 7. b. Mole fraction of water and oil in the 1st and 2nd liquid phases (MOLEFRAC) Mole flow of water and oil in the 1st and 2nd liquid phases (MOL EFLOW) Beta – the fraction of the 1st liquid to the total liquid (BETA) d. 5. All Rights Reserved. Use a vapor fraction of zero.Introduction to Aspen Plus Physical Properties Physical Properties Workshop (3) This Portion is Optional • Objective: Generate a table of compositions for each liquid phase (1st Liquid and 2nd Liquid) at different temperatures for a mixture of water and oil. All Rights Reserved. 6. ©2003 AspenTech. however it is more flexible regarding input and reporting. 2.

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