Getting Started

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Getting Started

© 2000 AEA Technology plc - All Rights Reserved. Chem 1_3.pdf

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Getting Started

Workshop
The Getting Started module introduces you to some of the basic concepts necessary for creating simulations in HYSYS. Some of the things you will learn from this module are:

• • • •

Methods for moving through different environments Selecting property packages and components Adding streams Attaching utilities

You will use HYSYS to define three streams. You will learn how to determine the properties of these streams by using the Property Table utility.

Learning Objectives
Once you have completed this section, you will be able to:

• • • • •

Define a Fluid Package (Property Package and Components) Add Streams Understand Flash Calculations Attach Stream Utilities Customize the Workbook

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Getting Started

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Building the Simulation
The Simulation Basis Manager
HYSYS uses the concept of the Fluid Package to contain all necessary information for performing flash and physical property calculations. This approach allows you to define all information (property package, components, interaction parameters, reactions, tabular data, hypothetical components, etc.) inside a single entity. There are three key advantages to this approach:

• All associated information is defined in a single location, allowing for easy creation and modification of the information • Fluid Packages can be stored as a completely separate entity for use in any simulation • Multiple Fluid Packages can be used in the same simulation; however, they are all defined inside the common Basis Manager.
The Simulation Basis Manager is a property view that allows you to create and manipulate every Fluid Package in the simulation. Whenever you begin a New Case, HYSYS places you at this location. The opening tab of the Simulation Basis Manager, Fluid Pkgs, contains the list of current Fluid Package definitions. You can use multiple Fluid Packages within one simulation by assigning them to different flowsheets and linking the flowsheets together.

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Getting Started

Inside the Current Fluid Packages group, there are a number of buttons:

• View - this is only active when a Fluid Package exists in the case. It allows you to view the property view for the selected Fluid Package. • Add – allows you to create and install a Fluid Package into the simulation. • Delete – removes the selected Fluid Package from the simulation. • Copy – makes a copy of the selected Fluid Package. Everything is identical in the copied version, except the name. This is useful for modifying fluid packages. • Import – allows you to import a predefined Fluid Package from disk. Fluid Packages have the file extension.fpk. • Export – allows you to export the selected Fluid Package to a disk. The exported Fluid Package can be retrieved into another case, by using the Import function.
You can use the <Ctrl><B> hot key to re-enter the Simulation Basis Manager from any point in the simulation or choose the Enter Basis Environment button from the button bar.
Basis Environment button

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2. you add components to your case. New Case button Start a new case by selecting the New Case button. Hit the <Enter> key when you are finished. Do this by clicking in the "Name" cell. 4. and typing the new name. Change the Name from the default Basis-1 to Stripper. Create a Fluid Package by selecting the Add button from the Simulation Basis Manager. From this tab. 3. 5. Click the Activity Model radio button and choose NRTL as the Property Package. 5 . Switch to the Components tab.Getting Started 5 Defining the Simulation Basis 1.

6 Getting Started You can select components for your simulation using several different methods: To Use… Match Cell Do This… 1. and press the Family Filter…button. As you start to type. the list will change to match what you have entered. 3. Click on the Match cell and enter the name of the component. scroll through the list until you find the desired component. Ensure the Match cell is empty. Select one of the three name formats. Component List 1. 4. Full Name/ Synonym. or Formula by selecting the corresponding radio button. Using the scroll bar for the main component list. • Press the <Enter> key • Press the Add Pure button • Double click on the component to add it to your simulation Family Filter 1. Use either of the two previous methods to then select the desired component. • Press the <Enter> key • Press the Add Pure button • Double click on the component to add it to your simulation. • Press the <Enter> key • Press the Add Pure button • Double click on the component to add it to your simulation Note: You can add a range of components by highlighting the entire range and pressing the Add Pure button. To add the component either: 2. SimName. 3. Select the desired family from the Family Filter to display only that type of component. Once the desired component is highlighted either: 2. To add the component either: 2. 6 .

Go to the Binary Coeffs tab. Select the library components Chloroform. Toluene. Press the Unknowns Only button to estimate missing coefficients. View the Aij. Bij and αij matrices by selecting the corresponding radio button. H2O. Ethanol. click the appropriate radio button in the Coefficient Matrix to View group. 7 . 6. Oxygen and Nitrogen.Getting Started 7 5. The Aij matrix is shown below: To view the Bij or αij coefficients.

8 .fpk when it saves your Fluid Package. 3. This functionality allows you to create a single common Fluid Package which you may use in multiple cases. you are ready to move on and start building the simulation. On the Fluid Pkgs tab highlight the Stripper Fluid Package.8 Getting Started Exporting Fluid Packages HYSYS allows you to export Fluid Packages for use in other simulations. 2. Press the Enter Simulation Environment button or the Interactive Simulation Environment button in the Button Bar. 1. Enter a unique name (Stripper) for the Fluid Package and press the OK button. HYSYS will automatically add the file extension . The file is automatically saved to the \HYSYS\paks subdirectory. Press the Export button. Now that the Fluid Package is now fully defined.

Switch to the Variables tab. it is possible to change the unit set used to display the different variables. 1. select the desired unit set. Close the window to return to the simulation.Getting Started 9 Selecting a Unit Set In HYSYS. and go to the Units page. From the Tools menu. 4. Both Field and SI units will be given in this course. 3. you are free to use whichever is more comfortable for you. choose Preferences. 2. 9 . If it is not already selected.

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Getting Started

Changing Units for a Specification
To change the units for a specification, simply type the numerical value of the specification and press the space bar or click on the unit drop down box. Choose the units for the value you are providing. HYSYS will convert the units back to the default units.

You can scroll through the unit list by starting to type the units, by using the arrow keys or by using the scroll bar.

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Getting Started

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Adding Streams
In HYSYS, there are two types of streams, Material and Energy. Material streams have a composition and parameters such as temperature, pressure and flowrates. They are used to represent Process Streams. Energy streams have only one parameter, a Heat Flow. They are used to represent the Duty supplied to or by a Unit Operation. There are a variety of ways to add streams in HYSYS. To Use This…
Menu Bar

Do This…
Select Add Stream from the Flowsheet menu. Or Press the <F11> Hot Key. The Stream property view will open.

Workbook

Open the Workbook and go to the Material Streams tab. Type a stream name into the **New** cell. Select Object Palette from the Flowsheet menu or press <F4> to open the Object Palette. Double click on the stream icon.

Object Palette

In this exercise, you will add three streams to represent the feeds to an air stripper. Each stream will be added using a different method of installation.

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Getting Started

Adding a Stream from the Menu Bar
This procedure describes how to add a stream using the <F11> hot key. 1. Press the <F11> hot key. The Stream Property view is displayed:

You can change the stream name by simply typing in a new name in the Stream Name box. 2. Change the stream name to Eth rich.

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Getting Started

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Entering Stream Compositions
There are two different methods to enter stream compositions from the Worksheet tab. When Using the…
Conditions page

Do This…
Double click on the Molar Flow cell to enter mole fractions. Or Double click on the Mass Flow cell to enter mass fractions. Or Double click on the LiqVolFlow cell to enter volume fractions. The Input Composition for Stream dialog is shown.

Composition page

Press the Edit button. The Input Composition for Stream dialog is shown.

3. 4.

Double click on the Mass Flow cell. The Input Composition for Stream view displays. We want to define the composition of this stream by specifying the mass flows for each component. By default, HYSYS has chosen the basis for defining the composition as mass fraction. Press the Basis button and select the Mass Flows radio button in the Composition Basis group. You are now able to enter the data in the desired format.

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000) 0 0 For This Component… Chloroform Toluene Note: If there are <empty> values. 14 . Enter the following compositions: Enter This Mass Flow.14 Getting Started 5.5 (5. Ethanol H2O Oxygen Nitrogen 6. Press the OK button when all the mass flows have been entered. either enter 0 or press the Normalize button. 7. kg/h (lb/hr) 2.0) 0 300 (600) 100 000 (200. Close the Stream Property view.

Getting Started 15 Adding a Stream from the Workbook To open or display the Workbook. Workbook button 1. Tol rich in the **New** cell. 000) 0 0 For This Component… Chloroform Toluene Ethanol H2O Oxygen Nitrogen 3. 2. You will have to change the basis again. kg/h (lb/hr) 1. Close the Stream Property view.0) 140 (280) 0 100 000 (200. Enter the stream name. 15 . Enter This Mass Flow. press the Workbook button on the Button Bar. Enter the following component mass flow rates.5 (3.

79 3.21 0. • Press the Save button on the button bar to save your case with the same name. press the <F4> hot key to open it.16 Getting Started Adding a Stream from the Object Palette 1. The Stream Property view displays. Double Click on the Material Stream button. Change the name of the stream to Strip Air. 2. Save button • From the File menu select Save to save your case with the same name. 4. For This Component… Chloroform Toluene Ethanol H2O Oxygen Nitrogen Saving your case You can use one of several different methods to save a case in HYSYS: Save your case often to avoid losing information. Save your case! 16 . Material Stream button (Blue) If the Object Palette is not open on the Desktop. Double click on the Molar Flow cell and enter the following stream compositions: Enter This Mole Fraction… 0 0 0 0 0. • Form the File menu select Save As to save your case in a different location or with a different name.

What is the bubble point temperature? __________ 2.3 kPa (14. Temperature. Set the pressure to 101. If you try to supply temperature. it is possible to perform dew and bubble point calculations. Only 2 of these 4 stream parameters. Perform a T-P flash calculation on the stream Tol Rich. HYSYS will calculate the dew temperature or pressure. Pressure or Molar Enthalpy can be supplied. Set the pressure to 101. By specifying a vapour fraction of 1 and either the pressure or temperature of the stream. a consistency error can occur. 1. HYSYS performs a flash calculation on the stream. a vapour fraction of 0 and either pressure or temperature must be entered.3 kPa (14. pressure. calculating the other two parameters. 17 .3 kPa (14. To calculate the bubble temperature or pressure. pressure and vapour fraction. Vf-P Vf-T. vapour fraction or molar enthalpy are known. 3. Set the pressure to 101. composition of the stream and two of either temperature.Getting Started 17 Flash Calculations HYSYS can perform five types of flash calculations on streams: P-T. What is the dew point temperature? __________ Perform a bubble point calculation on the stream Tol Rich. Once the . What is the vapour fraction? __________ Perform a dew point calculation on the stream Tol Rich.7 psia). Vapour Fraction. With the flash capabilities of HYSYS.7 psia) and the temperature to 90 °C (200 °F).7 psia). P-Molar Enthalpy and T-Molar Enthalpy.

Switch to the Attachments tab and choose the Utilities page. The Available Utilities window displays. automatically calculating when conditions change in the stream or operation to which it is attached. To Use the… Menu Bar Do this… Select Utilities from the Tools menu. 18 . Press the Create button. As with the majority of objects in HYSYS. the utility becomes part of the Flowsheet. Stream Property View Open the stream property view. The Available Utilities window displays. there are a number of ways to attach utilities to streams.18 Getting Started Attaching Utilities The utilities available in HYSYS are a set of useful tools that interact with your process. providing additional information or analysis of streams or operations. or Press the <Ctrl><U> hot key. Once installed.

Change the Lower Bound of the Temperature to 85 oC (185 oF) and change the Upper Bound to 100 oC (212 oF). 110 kPa (16. 19 . Use the hot key combination <Ctrl><U> to open the Available Utilities window. use the drop down menu to change its mode to State. 4. For the Pressure variable. Switch to the Dep. The utility calculates dependent variables for up to two user specified independent variable ranges or values. 3.4 psia). and enter the following values: 90 kPa (13 psia).3 kPa (14. 2. Prop tab. 1. 8. 101.Getting Started 19 Adding a Utility from the Stream Property View The Property Table utility allows you to examine property trends over a range of conditions in both tabular and graphical formats. Temperature is selected as Variable 1. 6. 5. The Property Table view displays.0 psia). A Property Table utility will be added to the stream Tol rich from the stream property view. 7.7 psia). Select Property Table from the menu on the right and press the Add Utility button. and 120 kPa (17.5 psia). Press the Select Stream button and select the stream Tol rich. Set the number on increments to 5. 100 kPa (14. and Pressure is selected as Variable 2. Press the OK button to return to the Ind. By default. Prop page.

and select the Viscosity property. 10. Select the Bulk radio button and highlight a cell in the Property matrix. aqueous or vapour) or for the bulk phase. Select the Liquid radio button. 12. Press the Calculate cell to generate the Property Table. 14. Select the Aqueous radio button. Mass Fraction property. 11.20 Getting Started It is possible to choose multiple dependent properties for any of the single phases (liquid. 9. and select the Aq. Select the Vapour radio button. and select the Vapour Mass Fraction property. Choose Mass Density from the drop down list. 13. 20 .

Finishing the Simulation The final step in this section is to add the stream information necessary for the case to be used in future modules.3 kPa (14. Press and hold the left mouse button and drag the edge of the view until all the phases can be seen. Open the property view for the stream Tol Rich. 4.7 psia) Temp. Move the mouse cursor to the left or right side of the view until the cursor changes to resizing arrows. kPa (psia) Eth rich Tol rich Strip Air 101 kPa (14.7 psia). 2.Getting Started 21 You can examine the Property Table results in either graphical or tabular formats on the Performance tab. 21 . Examining the Results The Stream Property View Within HYSYS.. 700 lb/hr) to the stream Strip Air. °C (°F) 15°C (60°F) 15°C (60°F) 25°C (77°F) Add a flowrate of 18 000 kg/h (39. On the Worksheet tab. 3. 1. Add the following temperatures and pressures to the streams: Pressure.7 psia) 101 kPa (14. Conditions page.7 psia) 101 kPa (14. add a Temperature value of 90°C (195°F) and supply a pressure of 101. it is possible to view the properties of the individual phases for any stream.

22 .22 Getting Started The pages Properties and Composition also show data for the individual phases.

6. A new Workbook tab. Ensure that this new tab is highlighted. Under the Workbook Tabs group. Vap Frac on a Mass Basis. 23 . Streams 2. Mass Density and Mass Enthalpy. In the Variables group. and in the view which appears. and change the name to Other Prop. You can add additional pages. select Setup. will be listed in the Workbook Tabs group. 8. change the variables which are displayed on the current pages. select +Stream and press OK. Click the Add button to view the list of variables grouped under the Select Variable(s) For Main page. 2. Molecular Weight. From the Workbook menu. or change the format of the values which are displayed. Workbook button Open the Workbook by pressing the Workbook button on the button bar. press the Delete button until all the default variables are removed. 5. select Vap Frac on a Mass Basis and click OK. The Setup window displays. From the Variables list. 1. In this exercise a new Workbook tab containing stream properties.Getting Started 23 Customizing the Workbook HYSYS allows you to customize the Workbook at several different levels. 4. 3. will be added. 7. press the Add button. Highlight the Name cell in the Tab Contents group.

Repeat 7 and 8 for Molecular Weight. 10. The Workbook now contains the tab Other Prop which shows the vapour fraction on a mass basis. Close this view to return to the Workbook. the molecular weight. the mass density and the mass enthalpy for all the components for the three streams.24 Getting Started 9. 24 . Mass Density and Mass Enthalpy.

Getting Started 25 Printing Stream and Workbook Datasheets In HYSYS you have the ability to print datasheets for Streams. 3. To print all streams: • Customize the Workbook to contain all the stream info you want. 25 . Operations and Workbooks. 4. Open the Workbook. Printing the Workbook Datasheet 1. • Print the Workbook Datasheet. Select Print Datasheet and the Select Datablock(s) to Print for Workbook window is displayed. The Print Datasheet or Open Page pop-up menu appears. You can choose to print or preview any of the available datasheets (press the + collapse button to view all available datasheets). 2. Clicking on the box will activate or deactivate the datasheet for printing or previewing. Right click (Object Inspect) the Workbook title bar.

26 Getting Started Printing an Individual Stream Datasheet To print the datasheet for an individual Stream. Save your case! 26 . Object Inspect the stream property view title bar and follow the same procedure as with the Workbook.

7 psia). 77 °F): What is the composition of the vapor space? _________ How full is the storage vessel? __________ 27 . __________ The mass fraction of toluene in the aqueous phase of the stream "Tol rich" at 15 °C (60 °F) and 101.Getting Started 27 Exercise 1 A. Assuming the storage vessel has a 45 minute hold-up and the vessel is at atmospheric conditions (1 atm. __________ B. 2. 25°C. 4. The dew point temperature of stream Eth Rich at 101 kPa (14. __________ Exercise 2 The stream Eth Rich is stored in a 200 m3 (7000 ft3) vessel.7 psia) and 0.7 psia).7 psia). Perform the following flash calculations: 1.3 kPa (14. 2.7 psia). 3. __________ The bubble point temperature of stream Strip Air at 101 kPa (14. 3. The vapour fraction of stream Eth rich at 15°C (60 °F) and 101 kPa (14. __________ The dew point pressure of stream Strip Air at 25°C (77 °F). Use the Workbook to find the following values: 1. 4. __________ What is the molar fraction of toluene in vapour phase for stream Tol rich under the same condition? __________ The mass density of stream Strip Air at 25 °C (77 °F) and 101 kPa (14. 5.5 vapour fraction. __________ The bubble point pressure of stream Tol rich at 15°C (60 °F). __________ The temperature of stream Tol rich at 101 kPa (14.7 psia).

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All Rights Reserved. Chem 2_5.pdf 1 .Thermodynamics and HYSYS 1 Thermodynamics and HYSYS © 2000 AEA Technology plc .

a comprehensive selection of estimation methods is available for creating fully defined hypothetical components. as well as alternative designs for distillation systems.2 Thermodynamics and HYSYS Workshop One of the main assets of HYSYS is its strong thermodynamic foundation. or cases when the models used by HYSYS do not predict the correct behaviour of some liquid-liquid mixtures (azeotropic mixtures). you can use tabular capabilities to override specific property calculations for more accuracy over a narrow range. The database consists of an excess of 1500 components and over 16000 fitted binary coefficients. If a library component cannot be found within the database. there are cases when the parameters calculated by HYSYS are not accurate enough. petrochemical and chemical fluids. you can use the functionality provided through OLE to interact with externally constructed property packages. Experimental pure component data. This powerful simulation program provides an environment for exploration of thermodynamic model behaviour. For those cases it is recommended to use another of Hyprotech’s products. HYSYS also contains a regression package within the tabular feature. Not only can you use a wide variety of internal property packages. The built-in property packages in HYSYS provide accurate thermodynamic. physical and transport property predictions for hydrocarbon. DISTIL. proper determination and tuning of interaction parameters and physical properties. can be used as input to the regression package. The regression package will fit the input data to one of the numerous mathematical expressions available in HYSYS. non-hydrocarbon. 2 . Or. Alternatively. you can supplement the existing data or supply a set of your own data. This will allow you to obtain simulation results for specific thermophysical properties that closely match your experimental data. However. which HYSYS provides for over 1000 components.

Thermodynamics and HYSYS 3 Proper use of thermodynamic property package parameters is key to successfully simulating any chemical process. you are able to quickly check the results of one set of parameters and compare those results with another set. HYSYS is user friendly by allowing quick viewing and changing of the particular parameters associated with any of the property packages. Effects of pressure and temperature can drastically alter the accuracy of a simulation given missing parameters or parameters fitted for different conditions. you will explore the thermodynamic packages of HYSYS and the proper use of their thermodynamic parameters. you will be able to: • • • • • Select an appropriate Property Package Understand the validity of each Activity Model Enter new interaction parameters for a property package Check multiphase behaviour of a stream Understand the importance of properly regressed binary coefficients 3 . In this module. Learning Objectives Once you have completed this module. In addition.

PR Options. PRSV PR. PRSV PR. PR Options. GS <10mm Hg. steam correlations for accurate steam property predictions. CS or GS PR Activity Models. HYSYS provides enhanced equations of state (PR and PRSV)for rigorous treatment of hydrocarbon systems. The following table lists some typical systems and recommended correlations: Type of System TEG Dehydration Sour Water Cryogenic Gas Processing Air Separation Atm Crude Towers Vacuum Towers Recommended Property Package PR PR. PRSV PRSV. All of these equations have their own inherent limitations and you are encouraged to become more familiar with the application of each equation. GS PR. Braun K10. ZJ or GS (see T/P limits) PR. NRTL (Contact Hyprotech) PR (Contact Hyprotech) Ethylene Towers High H2 Systems Reservoir Systems Steam Systems Hydrate Inhibition Chemical Systems HF Alkylation TEG Dehydration with Aromatics 4 . Esso K Lee Kesler Plocker PR. and activity coefficient models for chemical systems. PR Options Steam Package. semiempirical and vapour pressure models for the heavier hydrocarbon systems. Sour PR PR.4 Thermodynamics and HYSYS Selecting Property Packages The property packages available in HYSYS allow you to predict properties of mixtures ranging from well defined light hydrocarbon systems to complex oil mixtures and highly non-ideal (non-electrolytic) chemical systems.

Zudkevitch Joffee (ZJ) and Kabadi Danner (KD). For the Chemical industry due to the common occurrence of highly non-ideal systems. including PRSV. Sour SRK.Thermodynamics and HYSYS 5 Equations of State For oil. Activity Models Although equation of state models have proven to be very reliable in predicting properties of most hydrocarbon based fluids over a large range of operating conditions. • The Peng-Robinson property package options are PR. KD and ZJ. which itself was modified from the BWR equation. It is a two-fold modification of the PR equation of state that extends the application of the original PR method for highly non-ideal systems. they have been significantly enhanced by Hyprotech to extend their range of applicability. Activity Models are much more empirical in nature when compared to 5 . Polar or non-ideal chemical systems have traditionally been handled using dual model approaches. HYSYS offers several methods which are modifications of these property packages. Lee Kesler Plocker (LKP) is an adaptation of the Lee Kesler equations for mixtures. Of these. their application has been limited to primarily non-polar or slightly polar components. especially at low vapour pressures. Although the forms of these EOS methods are common with other commercial simulators. the Peng-Robinson EOS (PR) is generally the recommended property package. • It has shown to match vapour pressure curves of pure components and mixtures. the PRSV EOS may be considered. The Peng-Robinson and Soave-Redlich-Kwong equations of state (EOS) generate all required equilibrium and thermodynamic properties directly. • A limited amount of non-hydrocarbon interaction parameters are available. • Soave-Redlich-Kwong equation of state options are the SRK. gas and petrochemical applications. • It has been successfully extended to handle non-ideal systems giving results as good as those obtained by activity models. Sour PR. and PRSV. In addition. HYSYS currently offers the enhanced Peng-Robinson (PR) and Soave-Redlich-Kwong (SRK) equations of state. the PengRobinson equation of state supports the widest range of operating conditions and the greatest variety of systems.

g. Although they are “fudge” factors. they cannot be used as reliably as the equations of state for generalized application or extrapolating into untested operating conditions. This feature gives the flexibility to use separate thermodynamic models for the liquid and gas phases. For example. Activity Models produce the best results when they are applied in the operating region for which the interaction parameters were regressed. Their tuning parameters should be fitted against a representative sample of experimental data and their application should be limited to moderate pressures. Although there is considerable research being conducted to extend equation of state applications into the chemical industry (e. the condition of thermodynamics equilibrium is given by the equality between the fugacities of the liquid phase and vapour phase. Peng-Robinson or SRK equations of state.6 Thermodynamics and HYSYS the property predictions in the hydrocarbon industry. although a Virial equation of state is available for specific applications) • an activity coefficient model is used for the liquid phase. the state of the art of property predictions for chemical systems is still governed mainly by Activity Models. PRSV equation). Consequently. and the fugacity coefficient of the pure component at the same P and T.. so the fugacities for each phase have different forms. activity coefficients have an exact thermodynamic meaning as the ratio of the fugacity coefficient of a component in a mixture at P and T. For every component i in the mixture. Activity coefficients are “fudge” factors applied to the ideal solution hypothesis (Raoult’s Law in its simplest form) to allow the development of models which actually represent real data. 6 . more caution should be exercised when selecting these models for your simulation. In this approach: • an equation of state is used for predicting the vapour fugacity coefficients (normally ideal gas assumption or the Redlich Kwong.

Thermodynamics and HYSYS

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The following table briefly summarizes recommended activity coefficient models for different applications (refer to the bulleted reference guide below): Application
Binary Systems Multicomponent Systems Azeotropic Systems Liquid-Liquid Equilibria Dilute Systems Self-Associating Systems Polymers Extrapolation

Margules
A LA

van Laar
A LA

Wilson
A A

NRTL
A A

UNIQUAC
A A

A A

A A

A N/A

A A

A A

? ?

? ?

A A

A A

A A

N/A ?

N/A ?

N/A G

N/A G

A G

• • • • •

A = Applicable N/A = Not Applicable ? = Questionable G = Good LA = Limited Application

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Thermodynamics and HYSYS

Overview of Models
Margules
One of the earliest activity coefficient expressions was proposed by Margules at the end of the 19th century.

• The Margules equation was the first Gibbs excess energy representation developed. • The equation does not have any theoretical basis, but is useful for quick estimates and data interpolation. • In its simplest form, it has just one adjustable parameter and can represent mixtures which feature symmetric activity coefficient curves.
HYSYS has an extended multicomponent Margules equation with up to four adjustable parameters per binary. The four adjustable parameters for the Margules equation in HYSYS are the aij and aji (temperature independent) and the bij and bji terms (temperature dependent).
The Margules equation should not be used for extrapolation beyond the range over which the energy parameters have been fitted.

• The equation will use parameter values stored in HYSYS or any user supplied value for further fitting the equation to a given set of data. • In HYSYS, the equation is empirically extended and therefore caution should be exercised when handling multicomponent mixtures.

van Laar
The van Laar equation was the first Gibbs excess energy representation with physical significance. This equation fits many systems quite well, particularly for LLE component distributions. It can be used for systems that exhibit positive or negative deviations from Raoult’s Law. Some of the advantages and disadvantage for this model are:

The van Laar equation performs poorly for dilute systems and CANNOT represent many common systems, such as alcoholhydrocarbon mixtures, with acceptable accuracy.

• Generally requires less CPU time than other activity models. • It can represent limited miscibility as well as three phase equilibrium. • It cannot predict maxima or minima in the activity coefficient and therefore, generally performs poorly for systems with halogenated hydrocarbons and alcohols. • It also has a tendency to predict two liquid phases when they do not exist.

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Thermodynamics and HYSYS

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The van Laar equation implemented in HYSYS has two parameters with linear temperature dependency, thus making it a four parameter model. In HYSYS, the equation is empirically extended and therefore its use should be avoided when handling multicomponent mixtures.

Wilson
The Wilson equation, proposed by Grant M. Wilson in 1964, was the first activity coefficient equation that used the local composition model to derive the Gibbs Excess energy expression. It offers a thermodynamically consistent approach to predicting multicomponent behaviour from regressed binary equilibrium data.
The Wilson equation CANNOT be used for problems involving liquid-liquid equilibrium.

• Although the Wilson equation is more complex and requires more CPU time than either the van Laar or Margules equations, it can represent almost all non-ideal liquid solutions satisfactorily except electrolytes and solutions exhibiting limited miscibility (LLE or VLLE). • It performs an excellent job of predicting ternary equilibrium using parameters regressed from binary data only. • It will give similar results to the Margules and van Laar equations for weak non-ideal systems, but consistently outperforms them for increasingly non-ideal systems. • It cannot predict liquid-liquid phase splitting and therefore should only be used on problems where demixing is not an issue.
Our experience shows that the Wilson equation can be extrapolated with reasonable confidence to other operating regions with the same set of regressed energy parameters.

NRTL
The NRTL (Non-Random-Two-Liquid) equation, proposed by Renon and Prausnitz in 1968, is an extension of the original Wilson equation. It uses statistical mechanics and the liquid cell theory to represent the liquid structure. These concepts, combined with Wilson’s local composition model, produce an equation capable of representing VLE, LLE, and VLLE phase behaviour. Like the Wilson equation, the NRTL model is thermodynamically consistent and can be applied to ternary and higher order systems using parameters regressed from binary equilibrium data. The NRTL model has an accuracy comparable to the Wilson equation for VLE systems.

The additional parameter in the NRTL equation, called the alpha term, or nonrandomness parameter, represents the inverse of the coordination number of molecule “i” surrounded by molecules “j”. Since liquids usually have a coordination number between 3 and 6, you might expect the alpha parameter between 0.17 and 0.33.

• The NRTL combines the advantages of the Wilson and van Laar equations.

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Thermodynamics and HYSYS

• It is not extremely CPU intensive. • It can represent LLE quite well. • However, because of the mathematical structure of the NRTL equation, it can produce erroneous multiple miscibility gaps.
The NRTL equation in HYSYS contains five adjustable parameters (temperature dependent and independent) for fitting per binary pair.

UNIQUAC
The UNIQUAC (UNIversal QUAsi Chemical) equation proposed by Abrams and Prausnitz in 1975 uses statistical mechanics and the quasichemical theory of Guggenheim to represent the liquid structure. The equation is capable of representing LLE, VLE and VLLE with accuracy comparable to the NRTL equation, but without the need for a nonrandomness factor, it is a two parameter model. The UNIQUAC equation is significantly more detailed and sophisticated than any of the other activity models.

• Its main advantage is that a good representation of both VLE and LLE can be obtained for a large range of non-electrolyte mixtures using only two adjustable parameters per binary. • The fitted parameters usually exhibit a smaller temperature dependence which makes them more valid for extrapolation purposes. • The UNIQUAC equation utilizes the concept of local composition as proposed by Wilson. Since the primary concentration variable is a surface fraction as opposed to a mole fraction, it is applicable to systems containing molecules of very different sizes and shape, such as polymer solutions. • The UNIQUAC equation can be applied to a wide range of mixtures containing H2O, alcohols, nitriles, amines, esters, ketones, aldehydes, halogenated hydrocarbons and hydrocarbons.
In its simplest form it is a two parameter model, with the same remarks as Wilson and NRTL. UNIQUAC needs van der Waals area and volume parameters, and those can sometimes be difficult to find, especially for non-condensable gases (although DIPPR has a fair number available).

Extended and General NRTL
The Extended and General NRTL models are variations of the NRTL model, simple NRTL with a complex temperature dependency for the aij and aji terms. Apply either model to systems:

10

H2S.Thermodynamics and HYSYS 11 • with a wide boiling point range between components • where you require simultaneous solution of VLE and LLE. and CO. Equations of State. and Activity Models. Hydrogen. No interaction between "noncondensable" component pairs is taken into account in the VLE calculations. Nitrogen. Care must be taken to ensure that you are operating within the bounds of the model. another using Margules and another using van Laar. and there exists a wide boiling range or concentration range between components Extreme caution must be exercised when extrapolating beyond the temperature and pressure ranges used in regression of parameters. and the equations for each. For example. mixing three different thermodynamic models. Oxygen. Henry’s Law Henry’s Law cannot be selected explicitly as a property method in HYSYS. B and C coefficient matrices. However. NO. Chien-Null allows you to select the best activity model for each pair in the case. Ethane. and combine them to perform a three component calculation. inaccurate results can be obtained outside the original bounds. 11 . Acetylene. Due to the larger number of parameters used in fitting. accessible via the A. HYSYS will use Henry’s Law when an activity model is selected and "non-condensable" components are included within the component list. In this manner. The general NRTL model is particularly susceptible to inaccuracies if the model is used outside of the intended range. Chien-Null Chien-Null is an empirical model designed to allow you to mix and match models which were created using different methods and combined into a multicomponent expression. The Chien Null model allows 3 sets of coefficients for each component pair. HYSYS considers the following components non-condensable: Methane. CO2. The Thermodynamics appendix in the HYSYS User Manual provides more information on Property Packages. Argon. The Chien-Null model provides a consistent framework for applying existing activity models on a binary by binary basis. Helium. Chien-Null can allow the user to have a binary defined using NRTL. Ethylene.

• PR and SRK vapour phase models handle the same types of situations as the PR and SRK equations of state. or RK options can be used in conjunction with an activity model. Peng Robinson. SRK. HYSYS contains temperature dependent coefficients for carboxylic acids. SRK. Activity Model Vapour Phase Options There are several methods available for calculating the Vapour Phase in conjunction with the selected liquid activity model. SRK or RK To model non-idealities in the vapour phase. typically less than one-half the critical density. RV or Virial to ensure binary coefficients have been regressed with the corresponding vapour phase model. This model is appropriate for low pressures and for a vapour phase with little intermolecular interaction. the PR. Typically this occurs in systems containing carboxylic acids. ensure that the binary interaction parameters used for the activity model remain applicable with the chosen vapour model. You can overwrite these by changing the Association (ij) or Solvation (ii) coefficients from the default values. Ideal The ideal gas law can be used to model the vapour phase. or compounds that have the tendency to form stable H2 bonds in the vapour phase.12 Thermodynamics and HYSYS The extended Henry’s Law equation in HYSYS is used to model dilute solute/solvent interactions. The model is the default vapour phase fugacity calculation method for activity coefficient models. The choice will depend on specific considerations of your system. "Non-condensable" components are defined as those components that have critical temperatures below the system temperature. Virial The Virial option enables you to better model vapour phase fugacities of systems displaying strong vapour phase interactions. Care should be exercised in choosing PR. • For applications with compressors and turbines. PR or SRK will be superior to the RK or Ideal vapour model. 12 . This option is restricted to systems where the density is moderate. • When selecting one of these three models.

but you have the option of overwriting any library value. both cells of the pair automatically update with the same value. the library interaction parameters for PRSV do have Kij = Kji. but HYSYS does not force this if you modify one parameter in a binary pair.Thermodynamics and HYSYS 13 Binary Coefficients For the Property Packages which do include binary coefficients. In many cases. the Binary Coefficients tab contains a matrix which lists the interaction parameters for each component pair. Kij = Kji so when you change the value of one of these. You have the option of overwriting any library value. different estimation methods may be available and a different view may be shown. Depending on the property method chosen. 13 . For all EOS parameters (except PRSV). Equation of State Interaction Parameters The Equation of State Interaction Parameters group appears as follows on the Binary Coeffs tab when an EOS is the selected property package: The numbers appearing in the matrix are initially calculated by HYSYS.

0. You can overwrite any value or use one of the estimation methods. HYSYS provides the estimates for the interaction parameters in the matrix. Note that the Kij = Kji rule does not apply to Activity Model interaction parameters. 14 . • Set All to 0. HYSYS sets all interaction parameter values in the matrix to 0. Their tuning parameters should be fitted against a representative sample of experimental data and their application should be limited to moderate pressures.0 – this radio button is the default selection.14 Thermodynamics and HYSYS If you are using PR or SRK (or one of the Sour options).0 – when this is selected. Activity Model Interaction Parameters Activity Models are much more empirical in nature when compared to the property predictions in the hydrocarbon industry. setting all nonhydrocarbon pairs to 0. two radio buttons are displayed at the bottom of the page in the Treatment of Interaction Coefficients Unavailable from the Library group: • Estimate HC-HC/Set Non HC-HC to 0. The Activity Model Interaction Parameters group appears as follows on the Binary Coeffs tab when an Activity Model is the selected property package: The interaction parameters for each binary pair will be displayed.

however. • Clm in Row pair – estimates parameters such that the column component (j) is immiscible in the row component (i). then select the UNIFAC VLE estimation method (default) before pressing the Unknowns Only cell. HYSYS does not return the original library values. If you delete the contents of cells or if HYSYS does not provide default values. you must select a new property method and then re-select the original property method For the Immiscible method the options are: The UNIFAC (UNIquac groupFunctional Activity Coefficient) method is a group contribution technique using the UNIQUAC model as the starting point to estimate binary coefficients. If you had changed some of the original HYSYS values. you chose the NRTL Activity Model. Select the estimation method by choosing one of the radio buttons in the Coeff Estimation window. Aij and Aji. • All in Row – estimates parameters such that both components are mutually immiscible. • All Binaries – recalculates all the binaries of the matrix. you could use this to have HYSYS re-estimate the entire matrix. To return to the original library values. you can use this option. The existing values in the matrix are overwritten. When the All Binaries button is used. In Module 1. • Row in Clm pair – estimates the parameters such that the row component (j) is immiscible in the column component (i). . The options are: • UNIFAC VLE • UNIFAC LLE • Immiscible You can then invoke the estimation by selecting one of the available cells. HYSYS provides three interaction parameter estimation methods. This. • Unknowns Only – calculates the activity parameters for all the unknown pairs. should be a last solution as it is preferable to try and find values estimated from experimental data. 15 .Thermodynamics and HYSYS 15 Estimation Methods When using Activity Models. For UNIFAC methods the options are: • Individual Pair – calculates the parameters for the selected component pair. Estimation values will be returned using the selected UNIFAC method.

• UNIFAC was designed using relatively low molecular weight condensable components (thus high boilers may not be well represented). usually 1 atm. additional fitting of the parameters may be required to reliably reproduce the VLLE equilibrium conditions. Additional fitting may be required to match the azeotrope with acceptable accuracy. it is best to contact Hyprotech’s Technical Support department. or were fitted using isothermal data which would produce pressures closest to 1 atm. • Check the accuracy of the model for azeotropic systems. If you require additional assistance. Check not only for the temperature. using temperatures between 0-150 oC and data at modest pressures. • If three phase behaviour is suspected. 16 . • Again. because the interaction parameters were calculated at modest pressures. • The parameters built in HYSYS were fitted at 1 atm wherever possible. they may be inadequate for processes at high pressures. but always look for experimental data closer to the region you are working in to confirm your results. hence the LLE prediction may not be very good and additional fitting is necessary. • Data used in the determination of built in interaction parameters very rarely goes below 0. They are good for a first design. Nevertheless keep in mind the following: • Group contribution methods are always approximate and they are not substitutions for experimental data. • The values in the HYSYS component database are defined for VLE only. Basic Data Activity coefficient models are empirical by nature and the quality of their prediction depends on the quality and range of data used to determine the parameters. but for the composition as well. Some important things you should be aware of in HYSYS. but some guidelines are provided.01 mole fraction. UNIFAC or no UNIFAC? UNIFAC is a handy tool to give initial estimates for activity coefficient models. and extrapolating into the ppm or ppb region can be risky.16 Thermodynamics and HYSYS Which Activity Coefficient Model Should I Use? This is a tough question to answer.

the user is able to quickly check the results of one set of parameters and compare against another. With the computers we have today. • Margules or van Laar . 17 . UNIFAC does not provide good predictions for the dilute region. Exploring with the Simulation Proper use of thermodynamic property package parameters is key to successfully simulating any chemical process. • NRTL or UNIQUAC .should only be used if an abundant amount of data over a wide temperature range was used to define its parameters.Thermodynamics and HYSYS 17 • Generally. • Wilson . Otherwise it will provide the same modelling power as NRTL. this is usually not an issue.generally chosen if computation speed is a consideration.generally chosen if the system does not exhibit phase splitting. Effects of pressure and temperature can drastically alter the accuracy of a simulation given missing parameters or parameters fitted for different conditions. Additionally.generally chosen if the system exhibits phase splitting. some general guidelines to consider. May also be chosen if some preliminary work has been done using one of these models. Choosing an Activity Model Again. • General NRTL . HYSYS is user friendly in allowing quick viewing and changing of the particular parameters associated with any of the property packages.

What phases are now present? __________ What is the composition of each? __________ 18 . Notice that the interaction parameters for the binary are both set to 0. Return to the simulation environment by pressing the Return to Simulation Environment button. Open the stream view by double clicking on the stream DIIPE/ H2O.hsc. 2. 5. Close the stream view and press the Enter Basis Environment button. Press the Reset Params button to recall the default NRTL activity coefficient model interaction parameters. Enter the following conditions for stream DIIPE/H2O: Conditions Vapour Fraction Pressure Molar Flow Composition di-i-P-Ether H2O 50 mole % 50 mole % 0. Close the Fluid Package view. Do the following: 1. Select the Binary Coeffs tab of the Fluid Package.18 Thermodynamics and HYSYS Exercise 1 Di-iso-Propyl-Ether/H2O Binary This example effectively demonstrates the need for having interaction parameters.0 1 atm 1 kgmole/h (1 lbmole/hr) What phases are present? __________ 3. 6. 8. 7.0. Open case DIIPE. 4.

Chemistry Data Services. 19 . The xy phase diagrams on the next page (figures 1 and 2) illustrate the homogeneous behaviour when no parameters are available and the heterogeneous azeotropic behaviour when properly fitted parameters are used.Thermodynamics and HYSYS 19 Clearly. The majority of the default interaction parameters for activity coefficient models in HYSYS have been regressed based on VLE data from DECHEMA. it can be seen how important it is to have interaction parameters for the thermodynamic model.

Using the Default HYSYS Interaction Parameters. 2 . 20 . 1 .Interaction Parameters set to 0.20 Thermodynamics and HYSYS Fig. Fig.

1. The following example illustrates the poor LLE prediction than can be produced by comparing the results using default interaction parameters and specially regressed LLE parameters. the Phenol/Water system is also shown to exhibit liquid-liquid behaviour (2). Enter the following conditions for stream Phenol/H2O: Conditions Temperature Pressure Molar Flow Composition Phenol H2O 25 mole % 75 mole % 40°C 1 atm 1 kgmole/h (1 lbmole/hr) What phase(s) are present? __________ 21 .hsc. The default parameters for the Phenol/H2O system have been regressed from the DECHEMA Chemistry data series and provide very accurate vapour-liquid equilibrium since the original data source (1) was in this format.Thermodynamics and HYSYS 21 Exercise 2 Phenol/H2O Binary This binary shows the importance of ensuring that properly fitted interaction parameters for the conditions of your simulation are used. However. 2. Open the case Phenolh2o. A set of interaction parameters can be obtained from sources such as DECHEMA and entered into HYSYS.

8. 3. 5. 7. Therefore.2. Open the stream view for Phenol/H2O. 22 . What phase(s) are present now? __________ What are the compositions? __________ The figures on the following page (figures 3 and 4) show the difference between the two sets of interaction parameters. 6. Enter the Aij interaction parameters as shown here: 4. Enter an Alphaij = 0. Select the Alphaij/Cij radio button. Ensure the Fluid Package view is open and select the Binary Coeffs tab.22 Thermodynamics and HYSYS To provide a better prediction for LLE at 40 oC (105 oF) the following Aij interaction parameters are to be entered. Close the stream view and press the Enter Basis Environment button. 2. care must be exercised when simulating LLE as almost all the default interaction parameters for the activity coefficient models in HYSYS are for VLE. Return to the simulation environment by pressing the Return to Simulation Environment button. To enter the parameters do the following: 1. Close the Fluid Package view.

Thermodynamics and HYSYS 23 Fig. 23 .Using the Default (VLE) Interaction Parameters. Fig. 4 .Using the Fitted (LLE Optimizied) Interaction Parameters. 3 .

Using this data.24 Thermodynamics and HYSYS Exercise 3 Benzene/Cyclohexane/H2O Ternary This example again illustrates the importance of having interaction parameters and also discusses how the user can obtain parameters from regression. Enter the following stream conditions for Benzene/CC6/H2O: Conditions Temperature Pressure Composition Benzene H2O CC6 20 mole % 20 mole % 60 mole % 25°C 1 atm How many phases are present? __________ To provide a more precise simulation the missing CC6/H2O interaction parameter has to be obtained. To illustrate the principles do the following: 1. proceed with the steps on the following page. you can obtain new interaction parameters. an AEA Technology Engineering Software conceptual design and thermodynamic regression product. Open the case Ternary. To implement these parameters.2 for the CC6/H2O. The temperature dependent Bij parameters are to be left at 0 and the alphaij term is to be set to 0. some data is available at 25°C giving the liquid-liquid equilibrium between CC6 and H2O. 24 .hsc. Fortunately. and the regression capabilities within DISTIL. 2.

Return to the Basis Environment by pressing the Enter Basis Environment button. 5. Without the regressed CC6/H2O binary. Phys. Z.Thermodynamics and HYSYS 25 1. 459 (1900).. Enter a CC6/H2O alphaij value of 0.H. Hill A. References 1. the thermodynamic property package incorrectly predicts the system to be miscible at higher CC6 concentrations. and Malisoff W. 8. Chem. 7. 35. 2. J. Open the stream Benzene/CC6/H2O. Schreinemakers F. Enter the data in the Aij matrix as shown here: 4.E.2.M. Open the Fluid Package view and move to the Binary Coeffs tab. Am.A. 2. 48 (1926) 918. 6. Chem.. Close the Fluid Package view. Select the Alphaij/Cij radio button. 25 . This prediction is correct given properly regressed CC6/H2O parameters. How many phases are now present? __________ What are the compositions? __________ The figures on the following page (figures 5 and 6) clearly show the behaviour of the ternary system. 3. Return to the Simulation Environment. Soc.

5 . 26 .Without Regressed CC6/H2O Interaction Parameters. Fig.With Regressed CC6/H2O Interaction Parameters. 6 .26 Thermodynamics and HYSYS Fig.

pdf 1 .Flowsheeting 1 Flowsheeting © 2000 AEA Technology plc .All Rights Reserved. Chem 3_4.

On the third page a Simulation PFD is shown. a solution consisting of a non-volatile solute and a volatile solvent is concentrated by the addition of heat.2 Flowsheeting Workshop In evaporation. You will convert the completed simulation to a template. This represents the actual process. Sets and Adjusts Use the graphical interface to manipulate flowsheets in HYSYS Understand information propagation in HYSYS Convert HYSYS flowsheet to templates Prerequisites Before beginning this section you need to know how to: • Define a Fluid Package • Define Streams • Navigate the Workbook interface 2 . Building the simulation in this way allows more flexibility in the design. In this module you will simulate a series of three evaporators to concentrate a solution of sucrose/water. a Process Overview is shown. On the next page. In multiple effect evaporation. Learning Objectives Once you have completed this section. you will be able to: • • • • • Add and connect operations to build a Flowsheet Add and use logical operations. Each evaporator is modelled using a flash tank. making it available to connect to other simulations. the volatile solvent recovered from the first evaporator is condensed and used as a heat source for the next evaporator. This means that the second evaporator must operate at a lower temperature and pressure than the first evaporator. This represents the simulation as you will build it in this module.

Process Overview .

Simulation PFD .

For a complete description see: Defining the Simulation Basis. 5 .Flowsheeting 5 Building the Simulation The first step to building any simulation is defining a Fluid Package. 1. 2. 3. Defining the Simulation Basis The Wilson equation cannot be used for problems involving liquid-liquid equilibrium. The program warns you that the binary coefficients have not been determined and the model will assume values of zero. Module 1. Answer OK to this message. Use Wilson/Ideal as the Property Package with the components Sucrose and H2O. A brief recap on how to define a Fluid Package and install streams is described below. Notice that the interaction parameters for Aij and Bij are empty. Enter the Simulation Environment. Move to the Binary Coefficients page. Start a New Case and add a Fluid Package.

7 psia) 50 kg/h (110 lb/hr) 0.0 275 kPa (40 psia) 1.0 In this cell… Name Vapour Fraction Pressure Mass fraction H2O What is the temperature of stream Feed? __________ What is the temperature of stream Steam? __________ 6 .7 In this cell… Name Note that the composition values for this stream are in Mass fractions.3 0. Add a stream with the following values.6 Flowsheeting 4. Vapour Fraction Pressure Flowrate Mass Fraction Surcose Mass Fraction H2O 5. Double-click on the Mass Flow cell to enter these values. Enter… Feed 0 101.3 kPa (14. Add a second stream with the following properties: Enter… Steam 1.

Flowsheeting 7 Adding Unit Operations to a Flowsheet As with streams. Or Press the <F12> hot key. drag’n’drop the icon from the Object Palette to the PFD. The UnitOps window displays. PFD/Object Palette The Triple Effect Evaporator consists of six operations: • A series of three evaporators modelled as flash tanks (2 Phase separators) • Three coolers In this exercise. then click the Add UnitOp button. you will add each operation using a different method of installation. Object Palette Select Object Palette from the Flowsheet menu or press <F4> to open the Object Palette and double click the icon of the Unit Operation you want to add. Workbook Open the Workbook and go to the UnitOps page. 7 . Using the right mouse button. there are a variety of ways to add Unit Operations in HYSYS: To use the… Menu Bar Do this… Select Add Operation from the Flowsheet menu. The UnitOps window displays.

4. Press the <F12> hot key. The Separator property view displays. The UnitOps window displays: 2.8 Flowsheeting Adding a Separator The Evaporator is modelled using a Separator in HYSYS. 8 . On the Connections page enter the data as shown here: Note: Drop down boxes. Select Separator from the Available Unit Operations list. The Separator will be added using the <F12> hot key. 1. 3. contain lists of available streams which can be connected to the operation. Press the Add button. such as for Feed and Product streams.

The Cooler property view displays. 4. Click the Category Heat Transfer Equipment and select Cooler. On the Connections page enter the information as shown below: 5. 3. Press the Add button. 2. 9 . Go to the Parameters page. Press the <F12> hot key The UnitOps window displays. 1.Flowsheeting 9 Adding a Cooler Add the first Cooler using the same method.

Specify a Vapour Fraction of 0 for the stream Condensate. Enter a value of 0 kPa (0 psi) for the Pressure Drop. To completely define the separation we need to provide an energy flow.42e4 kJ/h (2. 7. Go to the Worksheet tab. What is the flowrate of Water in the stream L1? __________ What is the temperature of the stream V1? __________ What is the mass flow of steam through the Cooler? __________ 10 .10 Flowsheeting 6. 8. enter a value of 2. On the Worksheet tab.29e4 Btu/hr) for the Energy stream q1. 9.

4. 8. What is the Heat Flow for stream q2? __________ 11 . 2. 1. On the Connections page enter the information as shown below: 7. The UnitOps window displays: Select Heat Transfer Equipment from the Categories group. Select Cooler from the Available Unit Operations list. Press the Add button. 5. On the Parameters page specify a Pressure Drop of 0 kPa (0 psi). Open the Workbook and click the UnitOps tab.Flowsheeting 11 Add the Second Cooler This procedure describes how to add Unit Operations using the UnitOps page of the Workbook. Click the Add UnitOp button. 6. Go to the Worksheet tab and specify the Vapour Fraction of the stream C2 as 0. The Cooler property view displays. Close this view. 3.

Double click the Separator button on the Object Palette. The Object Palette displays: 2. The Separator property view displays.12 Flowsheeting Add Another Separator This procedure describes how to add a Separator using the Object Palette. 1. The Object Palette contains icons for all the Streams and Unit Operations in HYSYS. Separator button 12 . Press the <F4> hot key.

On the Connections page enter the stream information as shown here: 4. delete the pressure drop specification. Unknown Delta P . On the Parameters page. 13 .Flowsheeting 13 3. The Separator should become unsolved.

for instance. the Separator outlet temperature must be cooler then the condensate from the Cooler. A Set operation will be used to maintain this relationship. the temperature of two streams. if using field units the value for the offset will be -5 oF: What is the Delta P of Effect 2? __________ 14 . In order for the energy to flow from Cooler 2 to Effect 2.14 Flowsheeting Add a Set Operation The Set Operation is a steady-state logical operation used to set the value of a specific Process Variable (PV) in relation to another PV. Go to the Parameters tab. Set operation button Add a Set operation by double-clicking on the Set icon in the object palette. The relationship is between the same PV in two like objects -. 2. Complete the view as shown below. or the UA of two exchangers. 1. Complete the Connections page as shown here: 3.

<Ctrl> key Press and hold the <Ctrl> key and pass the cursor over the operation. This procedure describes how to install and connect the Cooler using the Object Palette Drag’n’drop technique. Move the cursor over the stream you want to connect. Move the cursor to the operation icon and release the mouse button. 3. The box indicates the size and location of the cooler icon. Move the cursor to the PFD. To Drag’n’Drop in the PFD: 1. Click the left mouse button to “drop” the Cooler onto the PFD. Press and hold the left mouse button. you can build your flowsheet in the PFD using the mouse to install and connect objects. with a box and a plus (+) symbol attached to it. There are two ways to connect the operation to a stream on the PFD: To connect using the … Attach Mode toggle button Insert Icon Do this… Press the Attach Mode toggle button. Press the Cooler button on the Object Palette. 2. 15 . Place the cursor over the stream you want to connect. Move the cursor to the operation icon and release the mouse button and the <Ctrl> key.Flowsheeting 15 Add the Third Cooler Working with a graphical representation. The Feed stream connection point is highlighted in dark blue. Place the cursor over the operation. The cursor will change to a special cursor. Press and hold the left mouse button.

On the Parameters page delete the pressure drop specification. 2. 6.16 Flowsheeting 4. 16 . Add the Third Separator 1. Enter the data shown below: 5. Drag ‘n’ drop the Separator onto the PFD. Go to the Worksheet tab and specify the Vapour Fraction of the stream C3 as 0. Connect the stream L2 as the Feed to the Separator. Double click on the Separator. Make the following connections: 3. On the Parameters page specify a Pressure Drop of 0 kPa (0 psi). Close this view. The Cooler property view displays. Double click on the Cooler icon on the PFD.

17 . Add a Set operation and complete the Connections page as shown here: 2.Flowsheeting 17 Set Operation 1.0 for the Multiplier. and 1. On the Parameters tab enter a value of –3 °C (-5°F) as the Offset.

4.a mathematical operation rather than a physical operation. Press the Select Var… button in the Adjusted Variable group to open the Variable Navigator. Add the Adjust operation. What is the weight percent of Water in stream L3? __________ It is desired to reach 15 weight% water in stream L3. Always work left to right in the Variable Navigator.18 Flowsheeting Add an Adjust The Adjust operation is a Logical Operation . 18 . The adjusted variable must always be a user specified value. 3. Press the OK cell to accept the variable and return to the Adjust property view. Don’t forget you can use the Object Filter when the Object list is large. Adjust button 1. The only parameter we have to manipulate this variable is the energy supplied to the first Effect. Press the Select Var… button in the Target Variable group. select Heat Flow. 2. From the Variable list which is now visible. 5. To meet a target concentration in L3 we can use an Adjust operation. The Adjust property view displays. From the Object list select q1. It will vary the value of one stream variable (the independent variable) to meet a required value or specification (the dependant variable) in another stream or operation.

15 in the Specified Target Value box. enter a value of 0. Note: once the case is solved (OK status).Flowsheeting 19 6. such as zero for pressure or flow. 9. On the Connections page. Press the Start button to begin calculations. The completed Connections page is shown below. When considering step sizes. The Secant method works best once the solution has been bracketed and by using a larger step size. Note the Tolerance and Step Size values. and enter 2000 kJ/h (1900 Btu/hr) as the Step Size. Select L3 and Comp Mass Frac (H2O) as the target variable. 19 . When adjusting certain variables. it is often a good idea to provide a minimum or maximum which corresponds to a physical boundary. go to the Monitor tab. Switch to the Parameters tab. 7. you are more likely to bracket the solution quickly. this button will disappear from the property view. 8. To view the progress of the Adjust. 10. use larger rather than smaller sizes.

Manipulating the PFD The PFD is designed around using the mouse and/or keyboard.20 Flowsheeting What is the energy required to achieve a concentration of 85 wt% of sucrose in the product stream? __________ If you enter a step size too large for the energy HYSYS will not calculate because all the liquid has been flashed. One very important PFD function for which the keyboard cannot be used is Object Inspection. or Text Annotation). Place the mouse pointer over the icon you wish to inspect and press the secondary mouse button. A list of the objects which you can Object Inspect are shown below with 20 . Note that HYSYS does not predict the formation of solids. Column. There are a number of instances in which either the mouse or the keyboard can be used to perform the same function. this will have to be verified separately. An appropriate menu is produced depending upon the icon selected (Stream. You need to decrease the step size. enter a new value for q1 and restart the simulation. You can perform many of the tasks and manipulations on the icons in the PFD by using Object Inspection. Operation.

PFD Object Inspection Menu...Flowsheeting 21 the corresponding menus. Object... Unit Operations Streams 21 .

then Cooler. A new page. and then Setup. Adding Unit Operation Information to the Workbook Each WorkBook has a UnitOps page by default that displays all the Unit Operations and their connections in the simulation.22 Flowsheeting Customize the PFD by performing the following: 1. Open the Workbook. Add a Table for stream L3. In the Menu Bar. you can add a page to the WorkBook to contain only Coolers in the simulation. 2. Cooler. Double clicking on a title with a "+" sign will open an expanded menu. You can add additional pages for specific Unit Operations to the WorkBook. To add a Unit Operation tab to the WorkBook: 1. select Heat Transfer Equipment. Add a Title. For example. Click OK. 2. 3. select Workbook. Add a Workbook Table for the Material Streams in the simulation. containing only Cooler information is added to the WorkBook. From the New Object Type view. 3. Triple Effect Evaporator. 22 . 5. press the Add button in the UnitOps group. 4. In the Setup view.

3. Add Unit Operation information to the PFD: Remember you can Object Inspect an object by selecting it and then clicking on it with the right mouse button. 4.Flowsheeting 23 Adding Unit Operation Information to the PFD For each Unit Operation. 1. Pressure. you can display a Property Table on the PFD. Save your case! 23 . The Vessel Temperature. Create two tables for the streams Feed and L3 showing the Component Mass Fraction of Sucrose and the Mass Flow. 6. and Duty are shown as defaults in the table. 2. 5. Liquid Molar Flow. Select Show Table from the menu. The Property Table contains certain default information about the Unit Operation. Select the Separator Effect 1. Object Inspect the table and insert the Vapour Mass Flow. Object Inspect the Unit Operation. Open the PFD.

Can you find any cases in which the program does not solve? Watch for cases when the Adjust block takes too large of a step in energy. 24 . causing all of the liquid to be flashed.24 Flowsheeting Exploring with the Simulation Exercise 1 Try running the case for different final sucrose concentrations.

Some of the advantages of using templates are: • Provide the mechanism by which two or more cases can be linked together • Can employ a different property package than the main case to which it is attached • Provide a convenient method for breaking large simulations into smaller. Save the template as 3-Effect-Evap. 5. Answer No to the question “Do you want to save the simulation case”. 25 . 4. easily managed components • Can be created once and then installed in multiple cases Before you convert a case to a template.tpl. 2. The stored template can subsequently be read from disk and efficiently installed as a complete Sub-Flowsheet operation any number of times into any number of different simulations. 3. Press the Convert to Template button. 1. 6. Note that once a case has been saved as a template. a template is representative of a plant process module or portion of a process module. Press Yes to convert the simulation case to a template. Typically. Delete the Flow and Composition of stream Feed. Choose Main Properties from the Simulation menu.Flowsheeting 25 Saving the Simulation as a Template A template is a complete Flowsheet that has been stored to disk with some additional information included that pertains to attaching the Flowsheet as a Sub-Flowsheet operation. it can not be re-converted back into a normal simulation case. it needs to be made generic so it can be used with gas plants of various flowrates.

26 Flowsheeting 26 .

pdf 1 .Reactions 1 Reactions © 2000 AEA Technology plc . Chem 4_4.All Rights Reserved.

the user is free to model reactions anywhere they might take place: in flash tanks. any changes to the basic reaction data are updated throughout the model automatically. you will be able to: • Define reactions in HYSYS • Model Conversion and Equilibrium reactors in HYSYS. • By separating the reaction definitions from the unit operations or model topology. Prerequisites Before beginning this section you need to know how to: • Create a Fluid Package • Add streams • Add Unit Operations 2 . • By defining the reactions up front in the fluid system. This is important for a number of reasons: • By associating reactions with the fluid system rather than a specific “reactor” unit operation. tray sections. thereby eliminating a repetitive task. reboilers etc. HYSYS defines reactions within the context of the Fluid Package. as well as in reactors. rather than each time a reactor unit is built. Additionally. the reactions need only be defined once. The user can then create a reaction library or database for future use. component and reaction data may be saved out as an independent file for use in another case. Reactions are defined and simply attached to the equipment piece.2 Reactions Workshop This module demonstrates the HYSYS philosophy for building reactions within a simulation. This module presents Steam-Methane Reforming. Learning Objectives Once you have completed this section.. reducing engineering time and working more efficiently.

• Conversion . 3 . By using combinations of these five reactors. Kinetic RevEqb. and LangmuirHinshelwood reactions can only be modelled in the CSTR. PFR and Separator. as well as the stoichiometry of the reactions. • Equilibrium .computes the conversion of each component entering the reactor. • PFR .evaluates the equilibrium composition of the outlet stream by minimizing the total Gibbs free energy of the reaction system. except for the Gibbs type. given the stoichiometry of all the reactions occurring and a kinetic rate constant for each reaction. The five reactor types are: Note that Kinetic.Reactions 3 Reactions and Reactors There are five different types of reactors that can be simulated with HYSYS.assumes that the reaction streams pass through the reactor in plug flow in computing the outlet stream composition. The conversion in the reactor depends on the rate expression of the reactions associated with the reaction type. • Gibbs .determines the composition of the outlet stream given the stoichiometry of all reactions occurring and the value of equilibrium constant (or the temperature dependant parameters that govern the equilibrium constant) for each reaction. Note: The required input is different depending on the type of reactor that is chosen. virtually any reactor can be modelled within HYSYS. CSTR and PFR reactors must have kinetic rate constants (or the formula to determine the kinetic rate constant) as inputs. must have the reaction stoichiometry as inputs. Reactions can also occur in the Tank. and Three Phase Separator Unit Operations if a reaction set is attached. calculates the composition of the outlet stream. Separator.given the stoichiometry of all the reactions occurring and the conversion of the base component. • CSTR . All of the reactor types.

Process Overview .

Reactions 5 Steam-Methane Reformer Steam reformation of methane is often undertaken in conjunction with processes which require large amounts of hydrogen – for instance hydrotreating. we will use two of the reactor types in HYSYS to simulate the reactors in the steam reformation train: the Conversion and Equilibrium reactors. ammonia production. Successive reaction stages take advantage of thermodynamics and catalysts to enhance the production of hydrogen at the expense of the by-product gases carbon monoxide and dioxide. or any process which may utilise such a synthesis gas. In the course of this problem. remaining carbon oxides are converted back into methane as completely as possible to minimise CO and CO2 carryover into the downstream process. Finally. 5 .

6 Reactions Building the Simulation Defining the Simulation Basis For this simulation we will use the Peng Robinson EOS with the following components: methane. hydrogen and water. we will select the components that we will have use in our reactions. 2. Here. Adding the Reactions The reactions which take place in this simulation are: Reaction Name Reform1 Reform2 Shift1 Meth1 Reaction CH4 +H2O ---> CO + 3H2 CO + H2O ---> CO2 + H2 CO + H2O <---> CO2 + H2 CO + 3H2 ---> H2O + CH4 Reactions in HYSYS are added in a manner very similar to the method used to add components to the simulation: 1. carbon monoxide. Press the Add Comps button to open the component selection view. 6 . carbon dioxide. The Fluid Package that you defined can be renamed to Steam-C1 reformer. Press the Simulation Basis Mgr button to open the Simulation Basis Manager view. Open the Fluid Package and select the Rxns tab.

4. 7 . Press the Add Reaction button and enter the necessary information as shown: 5. 6. This has defined the stoichiometry of the first reaction: CH4 +H2O ---> CO + 3H2 Note that reactants are defined with negative coefficients and products have positive coefficients. All reactions must be defined this way. Press the Add This Group of Components button.Reactions 7 3. Ensure that the FPkg Pool radio button is selected. Return to the Simulation Basis Manager view and press the Add Rxn button. Move to the Basis tab and click the K vs T Table radio button. this is the HYSYS standard. This moves the entire component list over to the Selected Reaction Components group. Choose Equilibrium as the type from the displayed list.

HYSYS contains a library of some of the most commonly encountered chemical reactions with their Equilibrium Constants. 8 .7 1. the rate of reaction number 1 in the Shift Reactor is negligible. CO + H2O ---> CO2 + H2 9.5 3 14 63 243 817 Temperature. °C (°F) 595°C (1100°F) 650°C (1200°F) 705°C (1300°F) 760°C (1400°F) 815°C (1500°F) 870°C (1600°F) 8.2 1. enter the following values: Keq 0.0 Temperature.8 Reactions 7. In the absence of a catalyst and at 430 °C (800°F). For the Shift Reactor.3 1. On the Keq790 tab.5 1. Add the second Equilibrium reaction by selecting the reaction type as Equilibrium. you will use the library values for the Equilibrium Constant. °C (°F) 675°C (1250°F) 705°C (1300°F) 730°C (1350°F) 760°C (1400°F 790°C (1450°F) 815°C (1500°F) The name of this reaction can be changed to Reform 2.1 1. and reaction number 2 becomes the only reaction. For reaction 2. proceed as above and enter the following values for the Equilibrium Constant: Keq 1.

and selecting the desired reaction from the drop down list. Rename this reaction Meth1. Add a Conversion reaction for the reverse of reaction number 1. Press the Add Library Rxn button. 1. On the Reactions tab of the Simulation Basis Manager. Rename the reaction Shift1. This adds the reaction and all of the reaction’s data to the simulation. Adding the Reaction Sets Reaction Sets may contain more than one Reaction. 13. On the Library tab.Reactions 9 10. Reactions are added by highlighting the <empty> field in the Active List group. 14. you can create reaction sets for each type of reactor. The 9 . Move to the Basis tab and enter CO as the Base Component and enter 100 for the Co term. The reaction is: CO + 3H2 ---> H2O + CH4 11. highlight the reaction with the form CO + H2O = CO2 + H2. Add the third Equilibrium reaction by selecting the reaction type as Equilibrium. Name the first Set Reformer Rxn Set. There is limited flexibility for the mixing of reaction types within a Reaction Set. and add Reform1 and Reform2. 12. press the Add Set button. • Equilibrium and Kinetic reactions can be within a single reaction set • Conversion reactions cannot be in the same set as other reaction types Once all four reactions are entered and defined.

3.10 Reactions view should look like this after you have finished: 2. you can enter the Simulation Environment and begin constructing the simulation. 1. highlight the Reformer Rxn Set and press the Add to FP button. On the Reactions tab of the Simulation Basis Manager view. Shift and Methanator). Create two more reaction sets with the following information: Active List Shift1 Meth1 Name Shift Rxn Set Methanator Rxn Set Attaching Reaction Sets to the Fluid Package After the three reaction Sets have been created. Once all three reaction sets are added to the Fluid Package. Repeat Steps 1 and 2 to add all three reaction sets (Reformer. 2. they must be added to the current fluid package in order for HYSYS to use them. Select the only available Fluid Package and press the Add Set to Fluid Package button. 10 .

. Connections Name Inlets Outlet Mix-100 Natural Gas / Steam Mixed Feed Enter... 11 . select the Set Outlet to Lowest Inlet radio button.Reactions 11 Adding the Unit Operations Add the Feed Streams Create two new material streams with the following information: In This Cell. Conditions Name Temperature Pressure Mass flow Composition Mass Fraction CH4 1...0 Add a Mixer In This Cell...0 Natural Gas 20°C (70°F) 520 kPa (75 psia) 800 kg/h (1765 lb/hr) Enter. On the Parameters page.. Name Temperature Pressure Composition Mass Fraction H2O Steam 180°C (360°F) 965 kPa (140 psia) 1.

Connections Name Inlet Energy Outlet Parameters Delta P Worksheet Reform Feed. Temperature 760°C (1400°F) 10 kPa (1.5 psi) HX1 Mixed Feed HX1-Q Reform Feed Enter..12 Reactions Add a Heater A Heater is needed to heat the feed to the reaction temperature... 12 . Add a Heater with the following information: In This Cell..

13 ..0 lbmole/hr) SET-1 Steam. Add a Set operation with the following information: In This Cell. Make the following connections: In This Cell. Connections Name Inlet General Reactors palette Vapour Outlet Liquid Outlet Energy Parameters DeltaP 70 kPa (10 psi) Reformer Reform Feed Reform Prod Reform Liq Reform Q General Reactors button Enter. Another palette appears with three reactor types: Gibbs.. Select the Equilibrium Reactor.. Connections Name Target Object Source Parameters Multiplier Offset 2. Add the Steam Reformer An Equilibrium Reactor will be used to simulate the Steam Reformer. click General Reactors.. The Reform Feed stream should now be completely defined.0 kgmole/h (0.. Equilibrium and Conversion.. From the Object Palette.Reactions 13 Add a Set Operation A Set operation is needed to fix the steam rate relative to the methane feed rate. and enter it into the PFD...5 0. Molar Flow Natural Gas Enter.

On the Parameters page. select the Heating radio button for the Duty.. 3. On the Worksheet tab. set the temperature of Reform Prod to 760°C (1400°F). What is the % conversion of Methane? __________ How much CO and H2 were produced in the reaction. On the Reactions tab.. Enter the connections with the following information: In This Cell.. Connections Name Inlet Energy Outlet Parameters Delta P Worksheet Shift Feed 427°C (800°F) 24 kPa (3.14 Reactions 1. 2. i. what is the molar flowrate of these two compounds in the reactor’s product stream? __________ & __________ Add a Cooler Add a Cooler to cool the stream Reform Prod down to the Shift Reactor’s temperature.5 psi) HX2 Reform Prod HX2-Q Shift Feed Enter.e. select the Reformer Rxn Set as the Reaction Set.. 14 . This will automatically connect the proper reactions to this Reactor and the Reactor will solve.

. On the Parameters page. What is the % conversion of CO in this reactor? __________ 15 .. choose the Cooling radio button for the Duty. Add an Equilibrium Reactor with the following data: In This Cell. 2. Temperature 430°C (800°F) 70 kPa (10 psi) Shift Shift Feed Shift Prod Shift Liq Shift Q Enter. 1. On the Reactions tab. This will automatically connect the proper reactions to this reactor.. select Shift Rxn Set as the Reaction Set.Reactions 15 Add the Shift Reactor Another Equilibrium Reactor will be used to model the Shift Reactor. Connections Name Inlet Vapour Outlet Liquid Outlet Energy Parameters Delta P Worksheet Shift Prod..

Make the connections as follows: In This Cell... Connections Name Inlet Energy Outlet Parameters Delta P Worksheet Amine Feed. 16 .. Temperature 38°C (100°F) 35 kPa (5 psi) HX3 Shift Prod HX3-Q Amine Feed Enter..16 Reactions Add a Cooler Add a Cooler to cool the stream Shift Prod down to the Amine Plant’s temperature (the Amine Plant will be added next).

0 for Methane...Reactions 17 Add the Amine Plant Add a Component Splitter to model the Amine Plant. On the Splits page. The purpose of this Splitter is only to remove the CO2 present in the flow.. 17 . this will force all CO2 to the bottom and all other components to the top. Hydrogen and H2O. The connections are shown below: In This Cell. The "Fraction to Overhead" for the CO2 must be 0. Connections Name Inlet Overhead Outlet Energy Stream Bottoms Outlet Parameters Overhead Pressure Bottoms Pressure Worksheet Sweet Gas. CO. specify the Fraction to Overhead as 1.. Temperature 138°C (280°F) 297 kPa (43 psia) 297 kPa (43 psia) Amine Plant Amine Feed Sweet Gas AmPl Q CO2 Off Enter.

Add a Heater with the following information: In This Cell. Connections Name Inlet Energy Outlet Parameters Delta P Worksheet Methanator Feed.18 Reactions Add a Heater A Heater is needed to heat the feed to the Methanator Reactor temperature... 18 .. Temperature 260°C (500°F) 21 kPa (3 psi) HX4 Sweet Gas HX4-Q Methanator Feed Enter..

Reactions 19 Add the Methanator Reactor Add a Conversion Reactor with the following connections: In This Cell.. Connections Name Inlet Vapour Outlet Liquid Outlet Energy Parameters Delta P Worksheet Product. What is the % conversion of CO? __________ How much Methane was produced in this reactor? __________ Save your case! 19 .. On the Reactions tab... Temperature 280°C (536°F) 35 kPa (5 psi) Methanator Methanator Feed Product Meth Liq Meth Q Enter. choose the Methanator Rxn Set from the Reaction Set drop down menu.

2. 3. He or she wants to compare steam flow rates of 1. Comp Molar Flow as the variable. 3. press the Insert button to open the Variable Navigator. Both the independent and the dependent variables are added to the Databook from the Variables tab. and CO2 as the variable’s specific. the dependent variables are calculated. you can use the Case Study tool in HYSYS to generate these numbers and still make your tee time! 1. 3. You select independent variables to change and dependent variables to monitor.0.20 Reactions Analysing the Results Using the Case Study The Case Study tool allows you to monitor the steady state response of key process variables to changes in your process. 20 .5. 2. imagine the following scenario: your boss approaches you one day and asks you to comment on the affects of varying the amount of Steam to the process on the flow of CO2 entering the Amine Plant and the flow of methane leaving the Methanator Reaction. From the Tools menu select Databook.5.5 and 4. The bad news is he or she wants the information first thing tomorrow morning (and you have a tee time in one hour). The good news is.0. HYSYS varies the independent variables one at a time. 2. Select Shift Prod as the object. or use the <Ctrl><D> Hot Key to open the Databook.0 times that of the natural gas. and with each change. To illustrate the Case Study tool’s capabilities. On the Variables tab.

Select the Multiplier of SET-1 as the Independent Variable. 7. 21 . 6. Add the two remaining variables as shown below: Product and SET-1. Press the View button to setup the Case Study. 5. 8.Reactions 21 4. Only user supplied variables can be selected as Independent Variables Switch to the Case Studies tab. Press the Add button to add a new Case Study. and select the remaining two variables as the Dependant Variables.

25 respectively. Press the Results button to view the calculations. High Bound. Press the Start button to begin the case study analysis. 22 .22 Reactions 9. 4. and Step Size of 1.5.0 and 0. Enter values for Low Bound. 10. 11.

we must use the Spreadsheet operation to calculate this value and transfer its value to another location that can be selected using the variable navigator. select Import Variable. we will manipulate the temperature of the outlet stream from the Shift 1 reactor until the desired molar ratio is achieved in the final product. The process for doing this will be given here: 1. From the menu that appears. 23 . Normally. we will use the Adjust operation in HYSYS to determine what temperature in the Shift 1 reactor will produce a molar ratio of hydrogen to methane of 10:1 in the final product. the ratio formula will look like this: +B1/B2. The molar ratio of methane to hydrogen is not a normal process variable.Reactions 23 Exercise Using the Adjust Operation In this exercise. In this case. In a third spreadsheet cell. The current value of this ratio should be around 7. If you used cells B1 and B2 in the two steps above. Add a Spreadsheet operation to the flowsheet.) 2.5 before continuing here. The Adjust operation in HYSYS is similar to a "steady state controller. only one method will be illustrated. therefore. We need to import two variable into this spreadsheet. 4. (Note: return the multiplier value for SET-1 to the original value 2. There are several ways to do this. however. 3. but keep in mind that this is only one possibility. for this exercise. and use the variable navigator to choose the Mole Fraction of Hydrogen in the Product stream. In another spreadsheet cell (say B2) import the Mole Fraction of Methane of the same stream. this is not the case here. the target variable can be selected using the variable navigator. enter the ratio formula. Right click on any spreadsheet cell (an example would be B1)." It will manipulate one process variable (this variable must be specifiable) until another variable is equal to a set target value.

.01 25 30 In This Cell.. Secant (default) 0. we add the Adjust operation. Shift Prod . Make the following connections: Enter. Adjust Variable Target Variable Specified Target Value 6.. enter the following information: Enter.. Method Tolerance Step Size Maximum Iterations 7. Press the Start button to begin the calculations. What is the reactor temperature that produces the desired molar ratio? ________________ Save your case! 24 .Temperature Sprdsht-1 -B3 (where "b3" is the cell that contains the formula result) 10 In This Cell....24 Reactions 5. On the Parameters tab. Add the Adjust operation to the flowsheet. The progress of the calculations can be seen on the Monitor tab. Now..

Reactions 25 Challenge A new application of the Product stream has been found. Is the Adjust operation now able to converge with a target value of 100? __________ 25 . it requires that the amount of methane in the stream be less than 1% of the amount of hydrogen. However. What happens when the Specified Target Value is changed to 100? __________ What else can be changed to improve the composition of the Product stream? Hint: look at the beginning of this process. the molar ratio must be increased to 100. __________ Change the multiplier of the Set-1 operation to 5. remember that the products of a process are influenced by the inputs. In other words.

26 Reactions 26 .

pdf 1 .Column Operations 1 Column Operations © 2000 AEA Technology plc . Chem 5_4.All Rights Reserved.

The ethanol rich product stream from the fermenter is sent to a concentration (Conc) tower. so small side liquid draws of fusel oils are installed on the rectifier to avoid this problem. 2 .2 Column Operations Workshop In this module. butanols and pentanols. so a small distillate draw is provided at the condenser. You will get more practice with the Column unit operation of HYSYS by: • modeling columns with side draws • adding a column with real trays. The top vapour is fed to a light purification tower (Lights) where most of the remaining CO2 and some methanol is vented. Methanol concentrates towards the top stages. 2propanol. This vapour draw is taken from Stage 2 so as to have an azeotropic ethanol product with less methanol contamination. These alcohols are normally referred to as Fusel oils. Fusel oils are a mixture of propanols. with a potential value superior to that of ethanol. and CO2. An absorber with a side vapour draw can be used to represent this tower. you will simulate an Ethanol Plant. 1-propanol. 1-butanol. The feed to the Rectifier (Rect) is the bottoms product of the Lights purification tower and the vapour draw from the concentration tower. This CO2 stream is washed with water in a vessel (CO2 Wash) to recover the ethanol. a small vent for CO2 is provided at the condenser. 3-methyl-1-butanol. Another interesting point is the concentration of heavy alcohols in the interior of the Rectifier. Also. 2-pentanol. acetic acid. Typically an ethanol fermentation process produces mainly ethanol plus several by-products in small quantities: methanol. which is recycled to the fermenter. The Rectifier is operated as a conventional distillation tower. The CO2 produced in the fermentation vessel carries some ethanol. Accumulation of fusel oils in the Rectification Tower can cause the formation of a second liquid phase and subsequent deterioration of performance for these trays.

Column Operations 3 Learning Objectives Once you have completed this section. you need to be able to: • Add streams. operations and columns. 3 . you will be able to: • Model a distillation column with side draws • Add specifications to a column • Add efficiencies to a column Prerequisites Before beginning this section.

Process Overview .

Column Operations 5 Column Overviews CO2 Wash Concentrator Lights 5 .

6 Column Operations Rectifier 6 .

2-Propanol.. Use the following components: Ethanol. CO2. On the Binary Coeffs tab of the Fluid Package use UNIFAC VLE and press the Unknowns Only button to estimate the missing interaction parameters. Acetic Acid.Column Operations 7 Building the Simulation Defining the Simulation Basis Any activity model (except Wilson.. which cannot predict two liquid phases) can be used to solve this problem. 2. 1. 2Pentanol and Glycerol. Conditions Stream Name Temperature Pressure Mass Flow Composition . 3-M-1-C4ol. 7 . 1-Propanol. Adding Streams and Unit Operations Input the material streams required for the flowsheet: In This Cell. Start a new case and select NRTL as the Property Package.. 3. 1-Butanol. Methanol.Mass Fraction H2O 100% Wash H2O 25°C (77°F) 102 kPa (15 psia) 2340 kg/h (5165 lb/hr) Enter. H2O..

141e-5 FromFerm 30°C (86°F) 102 kPa (15 psia) 46 720 kg/h (1.026e-5 2.808e-5 2.8 Column Operations Conditions Stream Name Temperature Pressure Mass Flow Composition .727e-5 2.0601 4.433e-5 1.457e-5 3.03e+05 lb/hr) Conditions Stream Name Temperature Pressure Mass Flow Composition .505e-5 9.8759 0.250 lb/hr) 8 .Mass Fraction Ethanol H2O CO2 Methanol Acetic Acid 1-Propanol 2-Propanol 1-Butanol 3-M-1-C4ol 2-Pentanol Glycerol 0.802e-5 2.0637 0.Mass Fraction H2O 100% Steam A 140°C (284°F) 102 kPa (15 psia) 11 000 kg/h (24.

while the overhead vapour goes to the CO2Wash Tower.... Conditions Name Inlets Vapour Outlet Liquid Outlet CO2 Vent FromFerm To CO2 Wash Beer Enter. The liquid bottoms of the separator are sent to the distillation section of the plant (Concentrator Tower).Column Operations 9 CO2 Vent Separator The CO2 Vent Separator separates products from the Fermentor. Install a Separator and make the connections shown here: In This Cell.. 9 .

check the box again. equipment. the Column appears as a single. you can treat the column in exactly that manner. efficiencies. simply run the Column again to produce a new converged solution. as well as make changes to Column Specifications. Isolation of Column Solver When you are in the Column runner. parameters. From the Main Environment.10 Column Operations The Column Operation Column SubFlowsheet A SubFlowsheet contains equipment and streams and exchanges information with the Parent Flowsheet through the connected streams. That is the case if a Column does not use all the components of the Main Flowsheet. All aspects of the Main Environment downstream of the Column will be paused until you are satisfied with the behaviour of the Column. as the Fluid Package in the Main Flowsheet may not necessarily be the best one in which to run the Column. 10 . and so on. To update the rest of the Flowsheet. stage summaries. reactions. The Column SubFlowsheet provides a number of advantages: Parent Simulation Environment button Independent Fluid Package HYSYS allows you to specify a unique Fluid Package for the Column SubFlowsheet. You can enter the Column SubFlowsheet by pressing the Column Environment button on the Column Property View. In many cases. the main simulation can be “checked” by unchecking the Update Outlets box. multifeed multi-product operation. you are free to view profiles. This allows you to make changes and focus on the Column without re-calculating the entire Flowsheet. Once you have made the necessary changes. In the Column runner. Once inside the Column Environment you can return to the Parent Environment by pressing either the Parent Environment button on the Column Runner view or the Parent Simulation Environment button in the Button Bar. or if different Interaction Parameters are best suited to the Column conditions. and other data.

allowing HYSYS to model several different separation processes. However. Initial Estimates In order to calculate. they will not appear on the Monitor. This module will introduce the Absorber. These data can be supplied in several ways. Once a Column is converged. HYSYS allows you to choose from a library of specifications gathered in the Column Specification Types window. there is the Initial Estimate Generator 11 . If the user does not have initial estimates HYSYS generates them. Specification Types can be supplied as Estimates or as Active specifications. Reflux. Solver page. but a simultaneous one whereby all operations within the SubFlowsheet are solved simultaneously. activated when you press the Add button. the Column solver in HYSYS requires usersupplied estimates ranging from condition parameters to feed and draw locations. and so on. Inactive specifications (Estimates) are used only as initial estimates for the convergence algorithm and never use a degree of freedom. Subsequent modules will present different columns so that. Specs page. The first interface when you select a Column requires values for the Number of Trays. and hence cannot be set as Active specifications. Pressure. Only Active specifications fill the Degree of Freedom of the Column which must be zero for the solver to calculate. the Column will automatically be up-dated and re-run. In the Column Solver. on the Work Sheet tab. Column Types HYSYS has several basic Column Templates (pre-constructed column configurations) which may be used for installing a new Column. data can also be supplied. by the end of this course. In the Column Environment. if changes are made to the parent Flowsheet. On the Design tab. Conditions page. The simultaneous solver permits in particular the user to install multiple unit operations within the SubFlowsheet without the need for Recycle blocks. on the Parameters tab. it is recommended to use the HYSYS Estimate Generator tool. However for chemical systems. Estimates can be supplied on the Estimates page under the Parameters tab. most types of columns will have been used. Alternatively.Column Operations 11 Use of Simultaneous Solution Algorithm The Column SubFlowsheet does not use the standard non-sequential solver.

Water is used to strip any ethanol entrained in the off gas mixture. 1. this produces an overhead of virtually pure CO2. Absorber button Add an Absorber with the information shown here on the first Connections page. The bottoms product from the tower is recycled to the Fermentor (however the recycle is not a concern in this example). the IEG will perform iterative flash calculations to provide the initial estimates for the temperature and composition profiles. No user estimates are required when the Iterative IEG check box is activated. 12 .12 Column Operations Parameters box. By checking the box. The Input Expert will guide you through the installation of the column. CO2 Wash Tower The CO2 Rejection Tower is a simple Absorber.

Press the Run button on the column property view to converge the column. Save your case! 13 . respectively.Column Operations 13 2. 3. If using field units. Press the Done button to complete the column installation. 4. On the Pressure Profile page. enter the following values. the values for the Top and Bottom stage pressures will be 14 and 15 psia.

This eliminates the additional DOF that adding the side draw stream would normally produce. therefore. By default. we need to replace the Draw Rate specification that HYSYS added automatically with one that we will define to meet our simulation needs. whenever a side draw stream is added to a column... Connections Column Name No. in this case. HYSYS automatically creates a Draw Rate specification for that stream.5 psia) 102 kPa (15 psia) To Light Stillage A Rect Feed. of Stages Feed Conc 17 Beer (Top Stage) Steam A (Bottom Stage) Ovhd Vapour Bottoms Liquid Vapour Side Draw Pressure Top Stage Pressure Bottom Stage Pressure Temperatures Stage 1 Temp Estimate Stage 17 Temp Estimate 90°C (195°F) 110°C (230°F) 100 kPa (14. The Concentrator is an Absorber with a side vapour draw. 14 .14 Column Operations Concentrator This tower removes most of the Methanol from the Fermentor products.. Stage 6 Enter. However.. In This Cell. we do not need a Draw Rate specification for this stream.

2. 3. 4. Select the specification you want from the list that appears.In this case. Go to the Specs page on the Design tab of the column property view. we want to add a Column Component Recovery specification. Press the Add button in the Column Specifications group to create a new specification.Column Operations 15 1. 15 . Press the Add Spec(s) button.

Save your case. Here. On the Monitor page of the Design tab. Save your case! 16 . 7. Press the Run button now to begin the column solver. although it must exit the column in one of the other product streams. 8. Complete the specification’s property view as shown below. We are not concerned about where the other 5% goes.16 Column Operations 5. we have set this ratio at 0. meaning that 95% of the ethanol supplied to the column is recovered in the Rect Feed stream. With the column’s DOF (degrees of freedom) at 0. ensure that the Ethanol Recovery specification is active and that all others are inactive. 6.95. This specification will set the ratio of ethanol recovered in the specified stream compared to the amount of ethanol fed to the column. We can now start the column runner and allow HYSYS to find a solution for this column. and we need to set which specifications should be active and which HYSYS can use as estimates only.

..Column Operations 17 Lights The Lights Tower is a purification tower. of Stages Bottom Stage Inlet Condenser Type Bottoms Liquid Condenser Energy Overhead Outlets Pressure (Input Expert Page 2) Delta P Condenser Pressure Bottom Stage Pressure Temperatures (Input Expert Page 3) Not Required Specifications (Input Expert Page 4) Vapour Flow Reflux Ratio Enter.6 kgmole/h (3. Refluxed Absorber button In this cell. 2nd EtOH 0 kPa (0 psi) 97 kPa (14 psia) 100 kPa (14... Add the Refluxed Absorber column and enter the following data. Connections (Input Expert Page 1) Column Name No. Lights 5 To Light Partial To Rect CondDuty Light Vent.5 lbmole/hr) 5 17 .5 psia) 1.

88 Ethanol The Active specifications for this column should be changed to: • Vap Prod Rate • Ethanol Purity So. The Reflux Ratio of 5 is only an estimate.. Add a Column Component Fraction specification with the following information: In this Cell.. and we will need to add another specifications that HYSYS will use to solve the column... Name Stage Flow Basis Phase Spec Value Component Enter. but we do not want to use these specifications to converge the column. deactivate the Reflux Ratio specification and activate the Ethanol Purity specification. currently the DOF = 0. 18 . Press the Run button to converge the column.18 Column Operations The Lights column requires 1 more specification. Ethanol Purity Condenser Mass Fraction Liquid (default) 0.

of Stages Inlet Streams Rect 59 ToRect. The Rectifier serves to concentrate the water/ethanol mixture to near azeotropic composition.4 lb/hr) 100 kPa (14.5 lb/hr) 2..5 psia) 105 kPa (15 psia) Partial RectVap RectDist Stillage B RectCond Q Rect Reb Q Enter. Stage 37 Pressures Condenser Reboiler Specifications Reflux Ratio Ovhd Vap Rate Distillate Rate 7100 4. Connections Column Name No. Stage 2 Fusel. Stage 44 Condenser Type Overhead Vapour Overhead Liquid Bottoms Liquid Condenser Energy Reboiler Energy Optional Side Draws Stream 1st Prod. Type L.. Stage 38 RectFeed.3 kg/h (9... The Rectifier is operated as a conventional distillation tower.0 kg/h (4. It contains a partial condenser as well as a reboiler. 19 . In This Cell. Type L.Column Operations 19 Rectifier The primary product from a plant such as this would be the azeotropic mixture of ethanol and water. Distillation column button Add a Distillation Column and enter the data shown here.

. We will add two Column Draw Rate specifications and one Component Fraction specification. Make following specifications active and all others inactive: • • • • • Reflux Ratio Ovhd Vap Rate Distillate Rate Fusel Rate Product Purity 20 . 1. On the Monitor page...20 Column Operations Adding Additional Specifications This column will require 5 active specifications in order to solve.95 Ethanol In This Cell. enter the following values for these two Draw Rate specifications. with the third one acting only as an estimate. we will add three.. however. Specification 1 Name Spec Value 1st Prod Rate 3000 kg/h (6500 lb/hr) Specification 2 Fusel Rate 2 kg/h (5 lb/hr) 2. Name Target Type Draw Basis Spec Value Component 3. We need to add at least two more. Add one Column Component Fraction specification with the following information: Enter. HYSYS automatically created Draw Rate specifications for those streams. Remember that when we added the two side draw streams to the column. Product Purity Stream (radio button) 1st Prod Mass Fraction 0.

draws (reboilers and condensers included) and equipment connected to columns. E. On the Solver page of the Parameters tab. Ind. 1. stop the solver and increase the Fusel draw rate spec value to 10 kg/h (20 lb/hr).0. and 59). Fusel. efficiencies on stages with feeds. selecting a number of cells on the right. 44. Feed. have to be left at their default value of 1. 747. Once the column has converge. Simply taking the actual number of trays and multiplying by the efficiency less than 1. 5.55) in the Eff. add Stage Efficiencies of 0. and try again.. you can view Due to the fact that HYSYS calculation of non-ideal trays does not take into account side-streams. 21 . Eng. Setting the damping factor at adaptive allows HYSYS to adjust this parameter to help ensure that the solver can reach a solution. In reality.0. and in most situations. columns can never achieve this perfect mixing and separation. and pressing the Specify button. set the Damping Factor to Adaptive and ensure that the Azeotropic check box is checked. In HYSYS.55 for all the stages except feed and product stages (2. the recommended approach for modelling any tower.0 generates the theoretical stages. Murphree. Efficiencies are applied to individual stages calculation using Murphree’s formula. What is the mass fraction of Ethanol in the "1st Prod" stream when the column is converged? ____________ The stage efficiencies for all feed and product stages must remain at 1. An overall efficiency can be applied when setting up the column or efficiencies can be specified for specific trays in the column. Draw Stream Location Theoretical trays assume that the liquid and vapour products are in thermodynamic equilibrium. the Fusel draw rate can be returned to its original level. where it must remain at 1.. Applying an overall efficiency is the most straightforward. efficiencies are defaulted to 1. To determine if this is an appropriate stage to recover the heavy alcohols.Column Operations 21 4. Due to the azeotropic nature of ethanol and water. 6. Chem. 1925. The HYSYS column solver is not able to handle non-ideal feed and draw stages at this time. Press the Run button to converge the column. On the Efficiencies page of the Parameters tab. 38. draws and equipment must be located appropriately. You can save time during this step by entering the value (0. 17. Spec cell. we need to have this box checked so that HYSYS is able to handle this situation.1 The side liquid draw.V. They can be user-modified in the appropriate tab of the Column Property view. If the column does not converge quickly. is added at stage 37 of Rect. There are two ways of accounting for less than ideal stages in HYSYS. 37. Multi.

2. Go to the Profiles page. 2. 3. This will open the Properties View: 1. To modify the components in this view.22 Column Operations the stage by stage composition profile: 1. In this view we can see the compositions on each tray. We wish to view the 1-Propanol composition on Tray 37. Highlight Composition in the Tray by Tray Properties group Press the View Graph button. Move to the Performance tab in the Column Runner. Therefore. Save your case! 22 . The initial graph will not contain this component. Check the 1-Propanol box in the Components group. we have selected the appropriate stage for the Fusel draw. you must press the Properties button. Close this view to return to the graph. Stage 37 has the highest concentration of 1-Propanol (which has the greatest concentration among the heavy alcohols).

Disconnect the "Stillage B" stream from the reboiler and reattach it as a material withdraw stream from stage 60. Change the number of stages in the column to 60. 5. 2. and select Show Trays. 4. or scroll down and check to Show box for stage 59. Following the steps below will allow you to replace the standard kettle reboiler with a thermosyphon type reboiler. This value can be accessed from the Connections page of the column’s property viewer. Right-click on the tray section. You will need to expand the trays shown by the column icon in order to attach the stream to this tray. 23 . With thermosyphon reboilers. Thermosyphon reboilers are commonly used in this type of application. 3. Attach the reboiler’s liquid product outlet (formerly the location of "Stillage B" stream) to the inlet point on stage 60. Use the Radio button to select Full Expansion. 1. This additional stage functions as a liquid sump that allows liquid to be drawn from the column and liquid to be fed to the column from the reboiler. both liquid and vapour are returned to the column rather than just the vapour that is returned to the column with standard kettle reboilers. and it is often desired to use HYSYS to simulate the operation of the column with this type of reboiler as it will provide a more accurate simulation of the actual physical set-up of the equipment. Enter the Column Environment by pressing the Column Environment button on the property viewer. In order to change the kettle reboiler to a thermosyphon.Column Operations 23 Optional Challenge Replacing the Kettle Reboiler with a Thermosyphon Reboiler In this portion of the module. we will have to add one additional stage to the column. Disconnect the "Boilup" stream from stage 60 and reattach it to stage 59. we will replace the default kettle type reboiler on the Rectifier column with a "Thermosyphon" type reboiler.

Name Stage Spec Value 9.F. Activate this new specification.. In This Cell. if it does not.. Save your case! Note that adding the additional stage and modifying the reboiler has not changed the operating behaviour of the column. The column should resolve automatically. and deactivate the Draw Rate specification that HYSYS created. Reboiler 0. Add a Column Vapour Fraction specification to the column with the following information: Enter. 24 . The reboiler should now be setup as follows: 7.. This is independent of the reboiler type.. Reboiler V. Adding another Side Draw to the column (Stillage B) means that HYSYS has created another Draw Rate specification and the DOF remains at 0.9 8. The boil-up provided by the thermosyphon reboiler will be the same as for the kettle reboiler. press the Run button to allow the column to converge. The bottom stage of the column (#60) does not function like a true equilibrium stage (there is no contacting vapour from the bottom).24 Column Operations 6.

Ethylene Glycol Plant 1 Ethylene Glycol Plant © 2000 AEA Technology plc .All Rights Reserved.pdf 1 . Chem 6_3.

a hydrate inhibitor in natural gas pipelines. and reactions. an all-weather antifreeze and coolant. Learning Objectives After completing this module. you need to be able to: • Add and define the simulation basis.2 Ethylene Glycol Plant Workshop Ethylene glycol has many industrial uses: a feed stock for polyester resins. • Add streams and operations to a simulation. or an industrial solvent. 2 . The product stream is fed to a distillation column where the excess water and ethylene oxide are stripped off the top and the ethylene glycol is the bottom product. you will be able to: • • • • Simulate CSTR reactors Simulate an Ethylene glycol plant Use the recycle operation in HYSYS Choose suitable locations for recycles Prerequisites Before beginning this module. Ethylene oxide and water are fed to a reactor to produce ethylene glycol. property packages. including components.

Process Overview .

Column Overview .

Use the Formula filter and type the chemical formulas given above into the Match Cell. Fast track to page 11. and press the Add Reaction button. The components are Ethylene Oxide (C2H4O). press the Simulation Basis Mgr button and select the Reactions tab. Adding the Reactions On the Rxns tab. 5 . Add all of the Fluid Package components by selecting the Add Comps button and pressing the Add this Group of Components button in the window that appears. Press the Add Rxn button. In the Stoichiometry and Rate Info group. Select UNIFAC VLE as the Coeff Estimation method to estimate the missing binary coefficients and press Unknowns Only. To define the reaction. define the reaction stoichiometry of the reaction previously stated (-1 for reactants. 2. add the following reaction to the Fluid Package: C2H4O + H2O → C2H6O2 1. Go to the Binary Coeffs tab. Water (H2O) and Ethylene Glycol (C2H6O2). This will help you find the desired components quickly and easily. choose Kinetic. 3.Ethylene Glycol Plant 5 Building the Simulation Defining the Simulation Basis Start a New case and choose the NRTL Activity Model. and 1 for product comps). These components can be hard to find in the long list of available components in HYSYS. This will estimate the coefficients for the ethylene oxide / ethylene glycol pair.

.0e+04 No reverse reaction is defined in this example. Basis Basis Base Component Rxn Phase Basis Units Rate Units Parameters Forward Reaction A E Molar Concn C2Oxide Combined Liquid kgmole/m3 kgmole/m3-s 5. Press the Add Set button to add the Global Rxn Set to the Current Reaction Sets group. 5.6 Ethylene Glycol Plant 4. 6 .. Return to the Simulation Basis Manager by closing the Kinetic Reaction window.. Close the Fluid Package view. Press the Enter Simulation Environment button. Complete the Basis and Parameters pages as below: Enter. Return to the Rxns tab of the Fluid Package. In This Cell..0e+06 5. 6.

4 psia) 105 kgmole/h (230 lbmole/hr) Enter.0 0.Ethylene Glycol Plant 7 Adding the Feed streams Add two feed streams with the following information..0 1.0 0. Conditions Name Temperature Pressure Molar Flow Composition C2Oxide H2O EGlycol 0...4 psia) 150 kgmole/h (330 lbmole/hr) Save your case! 7 . All compositions are entered as mole fractions In This Cell..0 Water Feed 25°C (77°F) 120 kPa (17.0 EOx Feed 25°C (77°F) 120 kPa (17.0 0. Conditions Name Temperature Pressure Molar Flow Composition C2Oxide H2O EGlycol 1.

In This Cell..8 Ethylene Glycol Plant Adding the Unit Operations CSTR Reactor Add a CSTR operation and enter the following information.. select the Global Rxn Set and Rxn-1 as the Reaction. 2..5 psi) 2 m3 (71 ft3) Rx Vapour Rx Liquid Rx Coolant CSTR button Enter. 1. Connections Name Inlets Reactor EOx Feed Water Feed Vapour Outlet Liquid Outlet Energy Parameters Pressure Drop Volume 10 kPa (1. Be sure to assign the Global Rxn Set as the Reaction Set for the separator to model the reactor. what is the % Conversion of Ethylene Oxide? __________ 8 . On the Reactions tab. From the Reaction results.. Specify the temperature of stream Rx Liquid to be 65°C (150°F).

. Note: HYSYS generates column temperature estimates if none are provided..0 kgmole/h (0. Add the column with the following information: In This Cell.. Connections Name No. of Stages Inlet Condenser Type Ovhd Vapour Ovhd Liquid Bottoms Liquid Condenser Energy Reboiler Energy Pressures Condenser Condenser Delta P Reboiler Specs Vapour Rate Reflux Ratio Reboiler Temperature 0. Save your case! 9 .0 150°C (300°F) 100 kPa (14.0 lbmole/hr) 3.Ethylene Glycol Plant 9 Ethylene Glycol Tower The Ethylene Glycol tower will be modelled as a Distillation Column.5 psia) 0 kPa (0 psi) 105 kPa (15 psia) T-100 10 Rx Liquid. Stage 5 Partial Vent Distillate Bottoms Product Cond Duty Reboiler Duty Enter..

The Recycle installs a theoretical block in the process stream. • HYSYS then compares the values of the calculated stream to those in the assumed stream. 10 . The following steps take place during the convergence process In general. The calculation process repeats until the values in the calculated stream match those in the assumed stream within specified tolerances. and the product is the assumed recycle stream. HYSYS modifies the values in the calculated stream and passes the modified values to the assumed stream. • HYSYS uses the conditions of the assumed stream (outlet) and solves the flowsheet up to the calculated stream (inlet). • Based on the difference between the values. never the inlet. The feed into the block is termed the calculated recycle stream.10 Ethylene Glycol Plant Installing the Recycle A Recycle operation is a mathematical unit operation and is installed as any other. It has an inlet (calculated) stream and an outlet (assumed) stream. A guess close to the solution will result in a faster convergence time. The operation is called/calculated whenever changes to the inlet stream fall outside of the converged tolerance. a Recycle operation is required for material transfer and not for thermal recycles. Always supply a guess or starting point for the outlet stream of the Recycle.

Water to Reactor. because a the two values would be in conflict with each other. The inlet stream is the Distillate and the outlet stream should be mixed with the pure Water Feed stream. before entering the Reactor. HYSYS will automatically calculate the flowrate of the Water Feed stream. If we had not deleted the specified value. HYSYS would report a consistency error. What value does HYSYS calculate for the flowrate of the stream "Water Feed"? __________ 11 . This value will be back-calculated from the outlet of the mixer. Once the flow rate in this stream is set. Delete the specified molar flow rate of the Water Feed stream.Ethylene Glycol Plant 11 Recycle the Water Stream The stream Distillate contains mostly unreacted water. This water can be recycled to the reactor in order to reduce the feed water requirements (as well as eliminate a waste stream). as 150 kgmole/h (330 lbmole/hr).hsc Install a Recycle block operation. Open the case OptRecy. Specify the molar flow of the mixer outlet stream.

12 Ethylene Glycol Plant Parameters tab Tolerance page The smaller the tolerance value.all recycles set at Simultaneous will be called at the same time. Change the Maximum Iterations number to 20. In this example. leave everything at the default. HYSYS allows you to set the convergence criteria or tolerance for each of the Recycle variables. Generally it is a good idea to start with the default tolerance until you have a converged solution and then tighten the tolerance.this type of recycle gets called whenever it is encountered during calculations. • Nested . the tighter the tolerance. Numerical Page This page contains the options for the two types of Recycles. 12 . Use this type if you have a single Recycle or if you have multiple recycles which are not connected. Nested and Simultaneous. • Simultaneous . Use this option if your Flowsheet has multiple inter-connected recycles.

notice that the Inlet and Outlet streams have the same values. Any variable that changes between iterations is displayed in this table. the known Inlet conditions were automatically passed to the Outlet stream to serve as the starting guess. 13 . In this instance. the Inlet stream was already calculated by HYSYS. When the Recycle was connected. Worksheet tab The Recycle WorkSheet page displays the Inlet and Outlet stream information.Ethylene Glycol Plant 13 Monitor tab This page displays convergence information as the calculations are performed. This is because before we installed the Recycle.

What EtOx feed rate is required to produce the specified molar flow of Ethylene Glycol? __________ 14 . The temperature range can be between 45 and 110 °C (100 and 240 °F). by adjusting the EOx Feed molar flow with a step size of 1 kgmole/h (2 lbmole/hr). with a step of 10 °C (20 °F). What temperature produces the maximum Ethylene Glycol flow? __________ What problems will be encountered if the temperature exceeds approximately 115 oC? __________ Remember to save the file under a different name if you wish to save it! Exercise 2 Set up an Adjust operation to make sure the molar flow of Ethylene Glycol in the Rx Liquid stream is equal to 110 kgmole/h (240 lbmole/ hr). Be sure to "Ignore" the Recycle operation before starting the Case Study.14 Ethylene Glycol Plant Exploring with the Simulation Exercise 1 Create a Case Study to plot the Ethylene Glycol molar flow in the liquid product against the Reactor Outlet Temperature.

15 . The importance of this factor depends on the convergence algorithm. flow. Attempt to choose a point such that specifying the assumed stream will define as many streams downstream as possible. For example. the effect of fluctuations will be reduced. its location in a simulation is a particularly important one. Good choices for these locations are at separator inlets. separators. Choose a Tear Location to Minimize the Number of Recycle Variables Variables include vapour fraction. It is more significant when successive substitution is used. Choose a Stable Tear Location The tear locations can be chosen such that fluctuations in the recycle stream have a minimal effect. thus effectively eliminating them as variables and increasing convergence stability. instead of the physical recycle. A very poor choice of a tear stream is a stream with an Adjust operation controlling one of its variables. enthalpy and composition. pressure. It generally occurs downstream of gathering points (mixers) and upstream of distribution points (tees. by placing the tear in a main stream. The location of the tear stream can often determine success or failure to converge a recycle Choose a Tear Location to Minimize the Number of Recycles Reducing the number of locations where the iterative process is required will save on the total convergence time. temperature. Choose the tear stream so that as many variables as possible are fixed. Choosing the location of the Recycle will depend on the Flowsheet topology.Ethylene Glycol Plant 15 Advanced Modelling Because the Recycle operation is a mathematical representation of a physical process. compressor after cooler outlets and trim heater outlets. and columns).

and several different problems will be given here. Note that some of these flowsheet may require more than one Recycle operation. Pressure drop of "Condenser" Operation. Pressure of "Chiller Out" stream. Flowsheet 1 Where should the Recycle be placed in this flowsheet and why? Assume that you know the following information: • • • • • Temperature and Vapour Fraction of "Cond Out"." 16 . The Mixer is set to "equalize all. it is vital that right location for the operation be chosen. Several guidelines were given on a previous page.16 Ethylene Glycol Plant Recycle Exercises Choosing the Right Location When installing Recycle operations in a HYSYS simulation. Pressure drop and Duty of "Chiller" operation.

as well as the Column Feed temperature. 17 . shell and tube side pressure drops for E-100 and E-101.Ethylene Glycol Plant 17 Flowsheet 2 Where should the Recycle be placed in this flowsheet and why? Assume that the Feed is fully defined. and the temperatures of streams 3 and 4 are known. Flowsheet 3 Where should the Recycle be placed in this flowsheet and why? Assume the Feed is completely defined. Shell and Tube Side pressure drops are known.

and the shell and tube side pressure drop for E-100 is known.18 Ethylene Glycol Plant Flowsheet 4 Where should the Recycle be placed in this flowsheet and why? Assume the Feed is completely defined. 18 .

pdf 1 .All Rights Reserved. Chem 7_4.Aromatic Stripper 1 Aromatic Stripper © 2000 AEA Technology plc .

2 Aromatic Stripper Workshop This example demonstrates a typical application of the recycle operation. a concentrated stream of aromatics. • Use different Fluid Packages within the same simulation. one of virtually pure water. An aromatic stripper to remove Benzene and Toluene from water is simulated with the help of a reboiled absorber. The objective of this process is to produce two product streams. you will be able to: • Use different sets of Binary Coefficients. • Model Three-Phase separators. Here. 2 . This example will also illustrate the flexibility of HYSYS that allows the user to use a different Fluid Package in the column subflowsheet from the one in the main flowsheet. Learning Objectives Once you have completed this section. which is the recycled overhead vapour after being cooled and going through a three phase separator. the feed stream is mostly water that is laced with a small amount of benzene and toluene. The column has two feeds: the main column feed and a reflux. This allows the user to use a property package tailored towards a certain behaviour in the Main Flowsheet and another package tailored towards a different behaviour in the Column environment. and the second.

Process Overview .

Column Overview .

5 . Enter the values given on the next page. The main flowsheet will therefore be an LLE dominated case. Return to the Fluid Pkgs tab of the Basis Manager. Use the Copy button to make a copy of the Arom Strip Fluid Package. 4. Add the following components: Water. Here. 3. For this case the default values for Aij and Alphaij are used (Bij is empty). Go to the Binary Coefficients tab. The stripper is controlled by vapour-liquid equilibrium. Two sets of Activity Coefficients will be used. and the column will be attributed a VLE set of parameters. Benzene and Toluene. Name the new Fluid Package Condenser. VLE Case 1. Name the Fluid Package Arom Strip. but the condenser is controlled by liquid-liquid equilibrium. Go to the Binary Coefficients tab.Aromatic Stripper 5 Building the Simulation Defining the Simulation Basis Start a new case using the NRTL Fluid Package. 2. we will enter parameters that have been specifically regressed for these components. LLE Case 1.

303 Benzene 0.00 Alphaij Interaction H2O H2O Benzene Toluene 0.206 21.364 0.593 -14.13 Toluene 4788.00 Benzene -37.038 Toluene 0.303 6 .389 Benzene 11090.12 Toluene -7. Bij.200 0. and Alphaij are shown below: Aij Interaction H2O H2O Benzene Toluene -1973.555 Bij Interaction H2O H2O Benzene Toluene 50.516 -1973.516 3.172 0.200 0.6 Aromatic Stripper The Activity Coefficients for Aij.038 0.

Fluid Pkg Associations group. In the Flowsheet . 6. Fluid Packages tab.Aromatic Stripper 7 5. change the Case (Main) Flowsheet to Condenser. 7 . Return to the Basis Manager. Press the Enter Simulation Environment button.

Pressure Molar Flow Composition ..8 Aromatic Stripper Starting the Simulation Add the following streams with the following information: In This Cell.0013 0. Stream Name Temperature The information supplied here is only an initial estimate. Conditions Stream Name Temperature Pressure Mass Flow Composition ... this stream will be part of the recycle loop.0 0 0 8 .. Eventually.Mass Fraction H2O Benzene Toluene 0.0005 Feed 95°C (205°F) 240 kPa (35 psia) 10 000 kg/h (22.050 lb/hr) Enter.9982 0.Mole Fraction H2O Benzene Toluene Reflux 35°C (95°F) 240 kPa (35 psia) 10 kgmole/h (22 lbmole/hr) 1.

Connections Name Inlets Outlet MIX-100 Feed..... Reflux Strip Feed Enter. Connections Column Name No. On the Monitor page.Aromatic Stripper 9 Add A Mixer Install a Mixer with the following values: In this cell. On the Parameters . Go to the Specs page and specify a Component Mass Fraction of 0..00001 for Benzene and Toluene for the second stage.. 9 . Close the view and enter the Basis Environment. of Stages Top Stage Inlet Ovhd Vapour Outlet Reboiler Energy Stream Bottoms Liquid Outlet Top Stage Pressure Reboiler Pressure Stripper 2 Strip Feed Vapour RebQ Bottoms 230 kPa (33 psia) 240 kPa (35 psia) Reboiled Absorber button Enter..Profiles page enter temperature estimates for stages 1 and the Reboiler of 100°C (212°F) and 125°C (260°F)respectively. make the new specification Active. 2. 3. 1. Add a Reboiled Absorber Add a Reboiled Absorber with the following information: In this cell..

. Note: A message will appear warning you about the P-H Flash as a transfer basis. the program allows you to select the type of flash that will occur between the two fluid packages. Return to the Simulation Environment. Close the view once it has converged.10 Aromatic Stripper 4. 10 . P-H. between the column overhead vapour product (using VLE data) and the condenser unit (using LLE data). Assign Arom Strip as the Fluid Package to use for the column. i. Use the default flash.e. and press the Return to Simulation Environment button again. 6. Open the Stripper property view and press the Run button. 5. Because we are now using two fluid packages with different interaction coefficients.

. providing the Reflux back to the Column.. Add a Cooler In This Cell..... Add a Three Phase Separator Add a Three Phase Separator with the following information: In This Cell. Connections Name Inlet Energy Outlet Parameters Delta P Worksheet Vapour Fraction.0 30 kPa (4 psi) Condenser Vapour Cond Q Condensed Enter.Aromatic Stripper 11 Simulating the Condenser The Condenser is represented by a Cooler. Connections Name Feeds Vapour Light Liquid Heavy Liquid Separator Condensed Cond Ovhd Aromatic Product Heavy Liquid Enter. Finally. a Recycle operation completes the loop. the accumulator is modelled as a 3-phase Separator... Condensed 0. 11 . and a pump is used to pump the liquid back to the required pressure.

Save your case! Add a Recycle Add a Recycle operation with the following information: In This Cell... Connections Name Inlet Outlet RCY-1 To Recycle Reflux Enter..12 Aromatic Stripper Add a Pump In This Cell... Save your case! 12 . Connections Name Inlet Outlet Energy Parameters Delta P 40 kPa (6 psi) Pump Heavy Liquid To Recycle Pump Q Enter....

Aromatic Stripper 13 Does the simulation solve properly? ______________ Can you see the benefit of defining a different fluid package for the column and main environments? __________ Can you think of any other situations where this feature could be used? ______________ 13 .

14

Aromatic Stripper

14

The Optimizer

1

The Optimizer

© 2000 AEA Technology plc - All Rights Reserved. Chem 8_5.pdf

1

2

The Optimizer

Workshop
Fast track to page 9.

In this example, a simple distillation column to separate Tetrahydrofuran (THF) from Toluene is simulated. The object of the exercise is to select the product specifications such that profit is maximized. A special tool in HYSYS, the Optimizer, will be used to find the optimum operating conditions.

Learning Objectives
Once you have completed this section, you will be able to:

• Use the Optimizer tool in HYSYS to optimize flowsheets • Use the Spreadsheet to perform calculations

Prerequisites
Before beginning this section you need to be able to:

• Add Streams and Operations • Model columns in HYSYS

2

Process Overview

Column Overview .

.44 0. and press the Unknowns Only button to estimate the missing Interaction Parameters.The Optimizer 5 Building the Simulation Defining the Simulation Basis For this case..Mass Fraction THF Toluene 0. Enter the Simulation Environment. When lab data is not available.. check that the UNIFAC VLE estimation method is chosen. Binary interaction parameters are used to correlate lab data with a thermodynamic model. you will be using the Wilson Activity Model. 5 .56 Feed 10°C (50°F) 140 kPa (20 psia) 3700 kg/h (8160 lb/hr) Enter.. Adding the Feed Stream Add a material stream with the following values: In This Cell. 1. Conditions Name Temperature Pressure Mass Flow Composition . you can estimate the parameters with HYSYS UNIFAC estimation method. On the Binary Coeffs tab. The components are: Tetrahydrofuran and Toluene. 2.

. Make the following specifications: In This Cell.. Specs Reflux Ratio Distillate Rate 2 (Estimate) 1500 kg/h (3305 lb/hr) (Estimate) Enter.. Condenser and Reboiler Condenser Reboiler 0 kPa 103 kPa (15 psia) 107 kPa (15. of Stages Feed Condenser Type Bottoms Liquid Ovhd Liquid Condenser Energy Stream Reboiler Energy Stream Pressure Delta P... Connections Column Name No..6 The Optimizer Add the Distillation Column Add a Distillation Column with the following values: In This Cell.. Stage 5 Total Toluene THF Cond Q Reb Q Enter..5 psia) T-100 10 Feed. 6 .

The column should now solve automatically. The DOF for the column should now be 0.The Optimizer 7 Create two new Column Component Fraction specifications as shown below: These two specifications should be Active. Save your case! 7 . If it does not. press the Run button to start the solver.

but this column solves very fast anyway. 2. • The Equilibrium Error Tolerance • The Heat/Spec Error Tolerance We want to set the value for both of these tolerances at 1e-6. follow these steps: 1. We are now ready to begin to optimize the column. 8 . These cells are located in the Solving Options group box. To change the tolerances. we have to tighten the tolerances of the column solver.8 The Optimizer Changing the Column Tolerances In order for the optimizer to work properly. so the tighter tolerances are acceptable in this case. Note that this will increase the solving time of the column. Access the Solver page of the Parameters tab. There are two tolerances that the column must meet before it can be considered as solved. Enter 1e-6 for both the tolerance values. This completes the changing of the tolerances.

Typically. • Objective Function . The Optimizer owns its own Spreadsheet for defining the Objective Functions as well as any constraint expressions to be used. with stringent plant emissions controls and increased competition. you can use the Optimizer to find the operating conditions which minimize or maximize an Objective Function.inequality and equality functions are defined in the Spreadsheet.The Optimizer 9 Adding the Optimizer In today’s highly competitive market place. HYSYS contains a multi-variable Steady State Optimizer. Optimization methods are now available that give the process engineer the necessary tools to perform on-going process improvement studies. In solving the Objective Function. • Primary Variables . 9 . minimize utilities or minimize exchanger UA.these are flowsheet variables whose values are manipulated in order to minimize (or maximize) the objective function.hsc Only user-specified process variables can be used as Primary Variables Restrictions on the Optimizer • only available for SteadyState calculations • it cannot be used in Templates. You set the upper and lower bounds for the primary variables. This allows the user a great deal of flexibility in defining the function. Once your Flowsheet has been built and a converged solution has been obtained. The function has to be defined within the Spreadsheet. the Optimizer must also meet any constraints that are defined by the user. • Constraint Functions . a plant’s survivability is often determined by its ability to remain competitive. efficient plant operation and finally to increased profitability. This allows you to construct Objective Functions which maximize profit. Open the case OptOptimizer.this is the function which is to be minimized or maximized. which are used to set the search range. Optimization studies lead directly to improved plant performance. optimization studies involve an ‘economic model’ composed of a Profit Function and operating constraints.

we have no process constraints. within the limit of product purity constraints. In our column. the economic model includes operating constraints (equality or inequality constraints or equations). or press <F5>. operating costs are associated with the column utility requirements for the reboiler and condenser. While increased profits is directly linked to increased production of the desired product. select Optimizer under Simulation in the Menu Bar. In this case. The Profit Function is a function of the revenue generated from desired products THF and Toluene. 10 . In general a profit function is given by: PF = ∑ F pMp – ∑ FfMf – OC p f where: PF = Profit Function/time = Product Flows * Product Values = Feedstock Flows * Feedstock Costs = Operating Costs ∑ FpMp ∑ FfMf OC Profit = (THF Product + Toluene Product) – Heating Cost – Cooling Cost – Feed Cost Typically. Performance Criterion or Performance Index) requires calculating a net profit for the column.10 The Optimizer In our column example. Which variable can we change to affect the Revenue?________ To invoke the Optimizer. The operating constraints comprise the model of the process or equipment. plant profitability is generally offset by operating costs. the Profit Function/Cost Function (sometimes referred to as the Objective Function.

On the Variables tab you define the Adjusted (Primary) Variables to be used in the optimization. T-100. Add the second variable. 11 .9. Spec Value. 2. THF and Toluene.The Optimizer 11 Variables tab When you invoke the Optimizer for the first time. Toluene Purity Spec. In this case. Press the Add button to add the first variable. Set the Upper Bound at 0. and the Lower Bound at 0. 1. with the same bounds as above. Spec Value. you are placed on the Variables tab. T-100.90. our Primary Variables are the purity of our products. 3. THF Purity Spec.

select Import Variable or Export Formula Result. and drag it to the desired location in the Spreadsheet. Primary Variables may be imported and functions defined within the Optimizer Spreadsheet.12 The Optimizer Defining the Spreadsheet The Optimizer has its own Spreadsheet for defining the Objective and Constraint functions. Then. using the Variable Navigator. From the Menu that appears. using the Variable Navigator. • Drag ‘n’ Drop .using the secondary mouse button. The Spreadsheet is an operation and thus the Spreadsheet cells get updated when Flowsheet variables change Importing and Exporting Variables You may import virtually any variable in the simulation into the Spreadsheet and you can export a cell’s value to any specific field in your simulation. If you are exporting the variable. • Object Inspection . 12 . Move to the Spreadsheet tab. or Export from. select the variable you wish to import or export. • Connections page tab . Press the Spreadsheet button on the Optimizer view to open the Spreadsheet. which possesses the same capabilities as the Main Flowsheet Spreadsheet 1. 2.select the Add Import or Add Export button.object inspect (secondary mouse button) the cell which you want to Import into. click the variable value (from the WorkBook or Property View) you wish to import. drag it from the Spreadsheet to the exported location. select the variable you wish to import or export. Then.

Select Import Variable. logarithmic and trigonometric functions can be performed in the Spreadsheet.. All common functions must be preceded by a + symbol. B1 B2 B3 B4 B5 B6 Object. and use the variable navigator to locate the desired variable. Cell. Some of the functions available are: Press the Function Help button to view the Available Spreadsheet Functions and Expressions. Text entries are added to the spreadsheet by typing them in the appropriate cell.. using syntax that is similar to conventional Spreadsheets. Special Functions must be preceded by the @ symbol. Arithmetic.The Optimizer 13 Adding Formulas Complex mathematical formulas can be created.. Cond Q Reb Q THF THF Toluene Toluene Variable.. Heat Flow Heat Flow Mass Flow Comp Mass Frac THF Mass Flow Comp Mass Frac Toluene Mass Flow B7 Feed The quickest way of importing variables is to right-click on the desired cell. Use this method to import the variables above now. 13 .. • • • • • • • • • Addition (+): +A1+A2 Subtraction (-): +A1-A2 Multiplication (*): +A1*A2 Division (/): +A1/A2 Power (^): +A1^3 Absolute Value (@ABS):@ABS(A1) Square Root (@SQRT):@SQRT(A1) Natural Log (@ln):@ln(A1) Exponential (@exp):@exp(A1) The following variables need to be imported into the Spreadsheet..

The comments can be added. the Profit? __________ 14 .737 ($/kWh) 0. The equation is: You can change the Variable Type to Unitless for dollar value variables.14 The Optimizer Enter the following constants on the spreadsheet. if desired.333*b4^3 ($/kg) Cell D4 Equation (Field) +0. What is the value of cell D8. The Objective Function is placed in Cell D8. Cell D1 D2 D7 Value (SI Units) 0.163*b6^3 ($/kg) +0. +(b3*d4+b5*d6)-b7*d7-(b1*d1+b2*d2)/3600 Pay special attention to the units in this equation.05 ($/kg) Value (Field) 138 ($/MMBtu) 216 ($/MMBtu) 0. you may have to add an additional term to this equation to convert between hours and days.151*b4^3 ($/lb) Description THF Price (corrected for purity) Toluene Price (corrected for purity) D6 +0.024 ($/lb) Comment Cooling Cost Heating Cost Feed Cost Enter the following product prices: Equation (SI Units) +0.471 ($/kWh) 0. If using field units.074*b6^3 ($/lb) Note: the prices of the products decrease as the impurities increase.

15 . The Current Value of the Objective Function will be provided. Use the drop down menu in the Edit Bar to select the appropriate cell. 2.The Optimizer 15 Functions tab The Functions tab contains two groups. However. In the Cell area of the Objective Function group. Select the Maximize radio button. the Objective Function and the Constraint Functions. in this example we do not have constraint functions. 1. specify the Spreadsheet cell that defines the Objective Function.

It generally requires a large number of iterations to converge on the solution. Similar method to Fletcher Reeves. Considered by many to be the most efficient method for minimization. Save your case! 16 . Monitor tab The Monitor tab displays the values of the Objective Function and Primary Variables during the Optimizer calculations.Handles inequality constraints but not equality constraints.Sequential Quadratic Programming. For more information on the Optimization Schemes. Move to the Monitor tab and press the Start button to begin the optimization. • Mixed . Select the Mixed method as the Scheme. • Quasi-Newton . • SQP . • Box . • Fletcher Reeves . Efficient method for general minimization. It is a combination of the Box and SQP methods. the SQP method is used to locate the final solution. handles inequality and equality constraints.16 The Optimizer Parameters tab The Parameters tab is used for selecting the Optimization Scheme. Use the defaults for Tolerance and Number of Iterations. 1. refer to the manual section 17. 2. It starts the minimization with the Box method using a very loose convergence tolerance. After convergence. 1.Handles inequality constraints only.2 or the on-line Help.Does not handle constraints.Does not handle constraints.

408e5 Btu/hr) 1.926e5 kJ/h (9.7 lb/hr) 0.95 9.3 $/hr Optimized Case THF purity Toluene mass flow Toluene purity Cond duty Reb duty Profit 17 .8 kg/h (3639.95 2049.2 kg/h (4517. examine the results and fill in the following table: Base Case THF mass flow 1650.5146e6 Btu/hr) 106.The Optimizer 17 Analysing the Results Once the Optimization is complete.4 lb/hr) 0.5980e6 kJ/h (1.

profit and products purities. 1. use the scroll down arrow to find the less than sign. The constraint values are positive if inequality constraints are satisfied and negative if inequality constraints are not satisfied.5 ft3/hr). 1.85 m3/h (65. On the Functions tab of the Optimizer press the Add button. the case must be set back to its state before the optimization. Go to the column subflowsheet. and the constraint value must be written in the spreadsheet. Remember to write the comments next to the values so that they can be understood. 3. 2. The THF Liquid Flow must first be imported into the spreadsheet (use an empty cell). In the Cond column. enter the initial value of 0. The constraint on the liquid flow is that it must not exceed 1.18 The Optimizer Exercise 1 We are going to introduce a constraint on the liquid volume flow of the stream THF and examine how it affects the results. 3. Re-run the column. Type in the reference of the cell where the variable constraint is located. First. 4. 2. On the Design tab.95 for the THF and Toluene purity specifications. Type in the reference of the cell where the value of the constraint is written. Go to the Monitor tab and start the Optimizer. 18 . Monitor page.

95 9.95 2049.926e5 kJ/h 1.The Optimizer 19 What differences.8 kg/h 0.2 kg/h 0. if any.3 $ 19 .5980e6 kJ/h 106. does the constraint make to the first optimized solution? Fill in the following table: Optimized Case Optimized Case 2 Base Case THF Mass Flow THF Purity Toluene Mass Flow Toluene Purity Cond Duty Reb Duty Profit 1650.

Type Net/Total Stage Export 4. (Note that there are a few approaches that can be taken with the heat exchanger modelling so two of the possibilities are listed). reset the THF and Toluene purity specifications to 0. 3.20 The Optimizer Exercise 2 Here. Open the Column’s Property viewer. Run the column. Use the Mixed optimization scheme for this exercise. 1. Add a Duty Spec to the Heat Exchanger but do not specify a value (pass is Overall). 2.0)..0. Set the Shell and Tube side pressure drops to 0. on the Monitor page. The heat exchanger will be modelled with 115 psia steam and the maximum flow of steam available to the reboiler is limited to 840 kg/h (1850 lb/hr). 5.. 7.. The outlet steam is at its bubble point (Vf = 0. Liquid Total 10 Yes In This Cell. 20 . 8. This must be done in the Basis Environment. we are going to model the reboiler with a steam-heated shell and tube heat exchanger.. Add a heat exchanger. What is the Heat Exchanger Duty? __________ 6. P = 790 kPa (115 psia). Add Water as a component. Return to the Main Environment (notice that the "To Reb" stream is now shown on the PFD.95. Flow = 770 kg/h (1700 lb/hr). Add a new internal stream (on the Flowsheet tab).682 $/kWh ($200/MMBtu). Specify the Steam inlet conditions at Vf = 1. ToReb with the following attributes: Enter. The stream ToReb is the shell side feed and steam is on the tube side. The cost of the 115 psia steam is 0.

21 .The Optimizer 21 9. Change the Heating Cost value to 0. The value in this new cell can then be exported to the Target Value of the Adjust operation. What is the Exchanger Duty and what is the Steam mass flow rate? __________ & __________ 11. 10. Add the Steam Mass Flow (must be less than 840 kg/h (1850 lb/ hr)) constraint to the Optimizer. 12. 13. Start the Optimizer. A cell on the spreadsheet can not be simultaneously imported and exported. Add an Adjust operation. Export the RebQ Heat Flow value (you will have to make this Exportable first) from the Optimizer spreadsheet into the Target value for the Adjust operation.682 $/kWh ($200/MMBtu) (Cell D2 on the spreadsheet) and Start the Adjust. Copy the value of cell B2 to another empty cell by entering the formula "+B2". The Adjusted Variable is the Steam flow rate and the Target Variable is the Spec Calc Value (Duty Spec).

22 The Optimizer 22 .

Chem 9_3.All Rights Reserved.Azeo Distillation with LL Extractor 1 Azeo Distillation with LL Extractor © 2000 AEA Technology plc .pdf 1 .

Learning Objectives Once you have completed this section. However. while a near azeotropic mixture of Acetone and Cyclo-Hexane is produced overhead. The overhead mixture will be separated in a Liquid-Liquid extractor using water as the solvent.2 Azeo Distillation with LL Extractor Workshop An azeotropic mixture of Benzene and Cyclo-Hexane is to be separated in a distillation column using Acetone as the entrainer. the problem may be solved more accurately by using one set of binary coefficients which will predict the liquid phase splitting in the Extractor. the Solvent Recovery tower and finally the recycling system. and another set which will predict VLE behaviour in the Distillation Columns. The problem could be solved with a single set of interaction parameters. with Cyclo-Hexane being recovered as the overhead product. you will be able to: • Import Fluid Packages • Model Azeotropic Distillation Columns • Model Liquid-Liquid Extraction Columns 2 . The Acetone/Water mixture will then be separated in a vacuum tower with the Acetone and Water products being recycled through the flowsheet. Nearly pure Benzene is produced from the bottom of the column. The process will be separated into four sections. the Liquid-Liquid extractor. the Azeotrope tower.

Process Overview .

4

Azeo Distillation with LL Extractor

Azeotropic Distillation Column

Solvent Recovery Tower

4

Azeo Distillation with LL Extractor

5

Building the Simulation
Defining the Simulation Basis
Two Fluid Packages will be used in this example. Both Fluid Packages will use the UNIQUAC Activity Model, and contain the components Benzene, Cyclohexane, Acetone and H2O. The first Fluid Package (VLEBASIS), will use the default library VLE binary interaction parameters and UNIFAC estimated parameters. The second Fluid Package (LLEBASIS), will replace those interaction coefficients with UNIFAC LLE estimated binary coefficients and those regressed from HYSYS Conceptual Design Application. 1. 2. Add the first Fluid Package in the usual manner and change the default name to VLE Basis. On the Binary Coeffs tab, view the binary coefficients for the UNIQUAC activity model.

The binary coefficients for the Cyclohexane/Water pair are not available from the database, so it is necessary to obtain them by estimation or from another source. In this example, the binary coefficients for the Cyclohexane/Water pair in the VLE Basis will be estimated by the UNIFAC VLE estimation method. Press the Unknowns Only button to estimate this pair. The second Fluid Package (for the Liquid-Liquid Extractor) will be imported. 1. On the Fluid Pkgs tab of the Simulation Basis Manager, press the Import button and import the Fluid Package LLEBasis.fpk. This file should be located on the course disk supplied with this material. Press the View button to see the new Fluid Package. Go to the Binary Coeffs tab to view the binary coefficients.

2.

Ensure that VLE Basis is the Default Fluid Package when you leave the Basis Environment.

If you examine the LLE Coefficients for VLE Basis and LLE Basis you will see they are different, because they have been taken from different sources. VLE Basis will be used for most of the simulation, while LLE Basis will be used as the Fluid Package for the Liquid-Liquid Extractor. Enter the Simulation Environment.

5

6

Azeo Distillation with LL Extractor

Adding the Feed Stream
1. Enter the following stream Azeo Feed as follows: Enter...

In this cell...
Conditions Stream Name Temperature Pressure Mass Flow Composition - Mass Frac Benzene Cyclohexane

Azeo Feed 77°C (170°F) 101.3 kPa (14.7 psia) 85 kg/h (190 lb/hr)

0.518 0.482

2.

Enter the stream Acetone as follows: Enter...

In This Cell...
Conditions Stream Name Temperature Pressure Mass Flow

Acetone 55°C (130°F) 101.3 kPa (14.7 psia) 95 kg/h (215 lb/hr)

3.

Enter a mass fraction of 1.0 for Acetone.

6

Azeo Distillation with LL Extractor

7

Azeotrope Tower
Published documentation on this process indicates that the overhead composition from the Azeotrope Tower is a near azeotropic mixture of Acetone and Cyclohexane. Using less Acetone than is necessary to produce the azeotrope will prevent the original Benzene/Cyclohexane azeotrope from being separated. The flow of Acetone required to separate this azeotrope and produce a mixture near azeotropic Cyclo-Hexane/Acetone, can be calculated from the azeotrope composition, (0.688 Acetone and 0.312 CycloHexane mass fractions). These values can be obtained through HYSYS Conceptual Design Application or the HYSYS Extension Binary Plots. The T-x-y diagrams for the Benzene/Cyclo-hexane and Acetone/Cyclohexane binaries are shown here:

The Binary extension is available on our website. www.aeat.software.com

7

the amount of Acetone required will be 90. A slightly greater flow will be used (95 kg/h {210 lb/hr}) to ensure separation of the Benzene/Cyclohexane azeotrope.34 kg/h (85*0.8 Azeo Distillation with LL Extractor Calculation for Required Acetone Flow Then.482*0. 8 .688/0.312). for an initial mass flowrate of the Azeo Feed stream of 85 kg/h with the given composition.

... On the Parameters tab. of Stages Condenser Energy Stream Inlet Streams T-100 28 Q-Cond Azeo Feed.3 kPa (14.0 130 kg/h (285 lb/hr) 2. 3.Azeo Distillation with LL Extractor 9 Adding the Azeotropic Distillation Column 1. we must check the Azeotropic box on the Solver page.998 10.7 psia) 55°C (130°F) 80°C (175°F) 0.75 psia) 101. 9 . Stage 21 Condenser Type Overhead Liquid Bottoms Liquid Outlet Reboiler Energy Stream Pressures Delta P Condenser Reboiler Temp. Run the column.5.998 0. Solver page.. Insert a Distillation Column with the following data: Enter. Estimates Condenser Reboiler Specifications Benzene Recovery in Reboiler Acetone Recovery in Cond Because we expect an azeotrope to be present in this column. In This Cell. check the Azeotropic box and supply a Fixed Damping Factor of 0. Reflux Ratio (Estimate) Azeo Liq Draw (Estimate) Total Azeo Liq Benzene Q Reb 0 95 kPa (13. Connections Column Name No. Stage 6 Acetone.

The extraction operation. Extraction based on chemical differences is sometimes preferable to distillation. These situations can be found in all process industries.10 Azeo Distillation with LL Extractor The Liquid-Liquid Extractor Liquid-liquid extraction is used as an alternative to distillation in situations where distillation is either ineffective or very difficult. and any external feeds • The separation of the two immiscible liquid phases which result from the mixing HYSYS models the liquid-liquid extraction process using countercurrent flow in a column similar to the absorber template. In addition. can therefore be discussed in terms of two processes: • The mixing of a feed solution. even under vacuum conditions • There are only small amounts of solute in the feed solution • The components to be separated are extremely different in nature Extraction involves the separation of a solute from a feed solution by mixing in a solvent in which the solute is preferentially soluble. a solvent. or have a limited solubility in the feed solution.relative volatility of the components is near one • Separation via distillation is limited due to the formation of azeotropes • The high temperatures of distillation cannot be withstood by the components. The extraction of penicillin from fermentation broth and the extraction of aromatics from lube oil fractions are two industrial examples. the solvent must be insoluble. Some examples of situations when extraction is preferred are listed below: • Excessive amounts of heat are required for distillation . 10 . on a stage by stage basis. which is separation based on relative volatilities.

Column Sizing Utility The column sizing utility in HYSYS is designed for columns with vapour and liquid traffic.Azeo Distillation with LL Extractor 11 Property Package The Liquid-Liquid Extractor cannot be used with the following property packages: Use only property packages that support 2 liquid phases. Side Draw If you require a Side Draw on the Extractor. it is not applicable to the Extractor unit operation. HYSYS will perform a three phase flash on the entire contents of the stage to produce the conditions and composition of the specified draw. Stage Efficiencies The HYSYS Extraction algorithm models the Extractor as a staged tower. therefore. 11 . Overhead Estimate You will not be required to provide an estimate for the Overhead Product Flow. you can choose to draw either the Light or Heavy phase from a stage. • • • • • • • • • • Wilson Antoine BraunK10 Esso Tabular Steam Amine Chao-Seader Grayson-Streed Sour PR Sour SRK Activity Models are recommended for most applications. The Extractor will generate an estimate from a mole weighted TP-Flash of the combined tower feeds. allowing you to specify either ideal stages or actual stages with efficiencies.

and then examining the phase separation while varying the solvent flow..12 Azeo Distillation with LL Extractor The purpose of the Liquid-Liquid Extractor is to determine the required solvent flow (in this case water) which will cause a mixture to phase split. A rough estimation of the solvent flow can be obtained by using a Mixer. In This Cell.0 12 . Enter the following data for the stream Water: Enter. However.3 kPa (14. the flow determined can only be used as an estimate... Conditions Stream Name Temperature Pressure Mass Flow Mass Fraction H20 Water 25°C (77°F) 101. forming two liquid phases. Use a flow of 200 kg/h (440 lb/hr) of Water.. 1.7 psia) 200 kg/h (440 lb/hr) 1. because the extractor is divided into stages.

7 psia) 25°C (77°F) 25°C (77°F) 28°C (82°F) 33°C (91°F) 3. Pressures Top Stage Bottom Stage Temperature Estimates Top Stage Stages 2-18 Stage 19 Stage 20 T-101 20 Water Azeo Liq CycloC6 Rich Solv 101. Add the Liquid-Liquid Extractor with the following data: Enter. 13 . supply an estimate of 48 kg/h (105 lb/hr) for the overhead light liquid...3 kPa (14.3 kPa (14.. In this cell.7 psia) 101. of Stages Top Stage Inlet Bottom Stage Inlet Ovhd Light Liquid Bottoms Heavy Liquid The Temperature Estimates for Stages 2-19 can be supplied on the Parameters tab. Profiles page. Connections Column Name No.Azeo Distillation with LL Extractor 13 2. On the Parameters tab.. Profiles page of the column property view.

Run the column. Go to the Basis Environment and select LLE Basis as the Fluid Package for the Liquid-Liquid Extractor. 14 . Return to the Simulation Environment. 5.14 Azeo Distillation with LL Extractor 4.

. 1. which separates the Acetone from the Water.. Stage 17 Total AcetRich H2O Rich RecCond Q RecReb Q 53 kPa (7.Azeo Distillation with LL Extractor 15 Adding the Solvent Recovery Tower The Solvent Recovery tower.9998 2. In This Cell. of Stages Inlet Streams Condenser Type Overhead Liq Bottoms Liquid Outlet Condenser Energy Stream Reboiler Energy Stream Pressures Condenser Pressure Reboiler Pressure Temperature Estimates Condenser Reboiler Specifications Reflux Ratio Acetone Recovery (Cond) T-102 20 RichSolv. 15 . Run the column..75 psia) 56 kPa (8 psia) 35°C (95°F) 80°C (175°F) 7 0. To keep the number of stages reasonable.. Add the Solvent Recovery Tower as a Distillation Column with the following data: Enter. presents a difficult separation at atmospheric pressure. Supply a Damping Factor of 0. (Once again the data was obtained from HYSYS Conceptual Design Application). an overhead pressure of 53 kPa will be used.8. Connections Column Name No. 3.

. Because of the temperature and pressure of the Solvent Recovery tower. each recycle stream will require a Pump and a Cooler/Heater operation to return the stream to the necessary tower conditions.16 Azeo Distillation with LL Extractor Solvent Recycles Finally. Connections Name Inlet Outlet Energy Parameters Adiabatic Efficiency 75% P-100 H2O Rich H2O Atm Q 100 Enter. 16 . the two products from the Solvent Recovery tower have to be recycled to the previous two towers..3 kPa (14. The pressure of stream H2O Atm is 101. Add a Pump Add a Pump to the stream H2O Rich with the following information: In This Cell..7 psia)..

Connections Name Inlet Energy Outlet Parameters Delta P 0 kPa E-100 H2O Atm Q102 H2O Cool Enter.. 17 . The temperature of stream H2O Cool is 25°C (77°F).Azeo Distillation with LL Extractor 17 Add a Cooler Add a Cooler downstream of P-100 with the following information: In This Cell....

.. 18 . The temperature of Acet Warm is 55°C (130°F).18 Azeo Distillation with LL Extractor Add the Second Pump Add another Pump from the T-102 product with the following information: In This Cell..7 psia).. Add a Heater Add a Heater operation downstream of Acet Atm with the following information: In This Cell... Connections Name Inlet Outlet Energy Parameters Adiabatic Efficiency 75% P-101 Acet Rich Acet Atm Q 101 Enter. The pressure of Acet Atm is 101.. Connections Name Inlet Energy Outlet Parameters Delta P 0 kPa E-101 Acet Atm Q 103 Acet Warm Enter..3 kPa (14.

Balance operations are used.Azeo Distillation with LL Extractor 19 Adding the Recycles Make-up streams are necessary to compensate for the losses of Acetone and Water in the process product streams. The streams containing the lost solvents are the make-up streams which will be mixed with the recycled streams from the solvent Recovery Tower. These streams are then sent to a Component Splitter and split into two streams: one containing the product and the other containing traces of the lost solvent. To calculate the exact amount that is lost in the products. 19 . These are not real operations but only mathematical ways of obtaining the make-up values. respectively. A Mole Balance operation will be used to create two streams (Rec Acet and Rec Water) with the same flowrates and compositions as the tower product streams Benzene and CycloC6.

1. On the Parameters tab. Specify the Temperature and Pressure of Rec H2O to be 25°C (77°F)and 101..3 kPa (14..7 psia). specify the Balance Type as Mole. Specify the Temperature and Pressure of Rec Acet to be 55°C (130°F) and 101..3 kPa (14.7 psia). Connections Name Inlet Streams Outlet Streams BAL-2 CycloC6 Rec H2O 1.20 Azeo Distillation with LL Extractor Add the Balance Operations Add two Balance operations with the following data: In This Cell. On the Parameters tab. Add the second balance operation with the following information. 3.. Connections Name Inlet Streams Outlet Streams BAL-1 Benzene Rec Acet Enter. Enter. specify the Balance Type as Mole..... 2. 2. 20 . In This Cell.

.. 21 .3 kPa (14.0 1.0 101.Azeo Distillation with LL Extractor 21 Add the Component Splitters Add two Component Splitters with the following information: In This Cell. The temperature in the other stream will be calculated from the energy balance around the operation..3 kPa (14. Connections Name Inlets Overhead Outlet Bottoms Outlet Parameters Overhead Pressure Bottoms Pressure Splits Benzene CycloC6 Acetone H2O 0 0 1.7 psia) 101.7 psia) X-100 Rec H2O H2O Make-up Frac CycloC6 Enter. Specify the temperature of one of the product streams to be 25°C (77°F)..

3 kPa (14. 22 .22 Azeo Distillation with LL Extractor In This Cell.. X-101 Rec Acet Acet Make-up Frac Benzene 101. Connections Name Inlets Overhead Outlet Bottoms Outlet Parameters Overhead Pressure Bottoms Pressure Splits Benzene CycloC6 Acetone H2O Enter..7 psia) 101.0 1.0 Specify the temperature of the product streams to be 55°C (130°F)...7 psia) 0 0 1.3 kPa (14.

. Connections Name Inlets MIX-101 H2O Cool H2O Make-up Outlet H2O to Rec 23 ....Azeo Distillation with LL Extractor 23 Add the Mixer Operations Add two Mixer operations with the following information: In This Cell. Connections Name Inlets MIX-100 Acet Warm Acet Make-up Outlet Acet to Rec Enter.

0 RCY-1 H2O to Rec Water Enter.0 10. Put the case in Hold mode before adding the recycles...0 10. the Flow Tolerance is set to 1 and the Composition Tolerance is set to 1. Connections Name Inlet Outlet Parameters Vapour Fraction Temperature Pressure Flow Enthalpy Composition 10.0 1.0 10. The Recycles are installed as Simultaneous..0 RCY-2 Acet to Rec Acetone 24 .0 1. Note that because of the nature of the process.0 10.0 10. Connections Name Inlet Outlet Parameters Vapour Fraction Temperature Pressure Flow Enthalpy Composition 10.24 Azeo Distillation with LL Extractor Add the Recycles The input for the recycles is shown below.0 1.0 10. In This Cell..0 1.

Save your case! 25 .Azeo Distillation with LL Extractor 25 Press the Go button to begin calculations. operations can be opened again in order to be examined. Having completed the recycles and converged the whole flowsheet.

26 Azeo Distillation with LL Extractor 26 .

pdf 1 .All Rights Reserved.Reactive Distillation 1 Reactive Distillation © 2000 AEA Technology plc . Chem 10_3.

reactive distillation has found acceptance as a means of improving the technical and economic operation of processes where it is applicable. Learning Objectives Once you have completed this section.2 Reactive Distillation Workshop With the continuous removal of reaction products. an important oil resin used in the manufacture of artificial leathers. you will study the manufacture of Methyl Acetate. Fast Track to page 7 In this example. Advantages of this process include higher yields. energy savings and reduced capital costs. you will be able to: • Model reactive distillation columns 2 . You will simulate the synthesis of Methyl Acetate from Methanol and Acetic Acid in a catalytic distillation column.

Process Overview .

Column Overview .

4 0.1 0..1 Feed 75°C (165°F) 101. The components are: Methanol. M-Acetate is the SimName and Methyl-Acetate is the FullName. 5 . Start a new case using the Wilson Activity Model. M-Acetate and Water. Acetic Acid.Reactive Distillation 5 Building the Simulation Defining the Simulation Basis 1.. Conditions Stream Name Temperature Pressure Molar Flow Composition . Add the Feed Stream Add the feed stream with the following values: In This Cell.7 psia) 45 kgmole/h (100 lbmole/hr) Enter.3 kPa (14..4 0. In the HYSYS component database.. Enter the Simulation Environment.Mole Fractions Methanol Acetic Acid M-Acetate Water 0.

.Mole Fraction Component Methanol Acetic Acid Methyl Acetate Water 6 ... Connections Column Name No. Condenser Condenser Reboiler Specs Reflux Ratio Distillate Rate 5 20 kgmole/h (44 lbmole/hr) 0 kPa (0 psi) 90 kPa (13 psia) 97 kPa (14 psia) Reactive Distil 15 Feed. Complete the following table with information from the simulation: Distillate .Mole Fraction Bottoms .6 Reactive Distillation Add the Distillation Column Add a Distillation Column with the following connections: In This Cell.. Stage 10 Total Distillate Bottoms Cond Q Reb Q Enter. of Stages Feed Condenser Type Ovhd Liquid Bottoms Liquid Condenser Energy Reboiler Energy Pressure Delta P. Go to the Monitor page of the Design tab and run the column.

0e4 Btu/lbmole). press the Add Rxn button.3e4 kJ/kgmole (1. select Reaction Package. On the Parameters tab. Open the case OptReact.0e5. Add the Global Rxn Set to the Current Reaction Sets group by pressing the Add Set button. 7. Enter the stoichiometric coefficients on the Stoichiometry tab. Close the view. Leave the Basis and Rate Units at their default values. for the Forward Reaction enter the Arrenhius Parameter as A=1. Select Kinetic from the list of reactions and press the Add Reaction button. From the Available Reactions group. From the Flowsheet menu.hsc The reaction occurring in this simulation is a Kinetic reaction. 7 . 2. CH3OH + CH3COOH = CH3CH3COO + H2O 1. and for the Energy Parameter E=2.Reactive Distillation 7 Adding the Reaction Another way to add reactions in HYSYS is through the Simulation Environment. 3. 6. Go to the Basis tab. 5. The reaction status should now be Ready. Remember that reactants are negative and products are positive. 4. The Base Component is methanol and the RxnPhase is Liquid.

press the New button. However. On the Reactions tab. Select this solver on the Solver page of the Parameters page. Enter the following data: 2. It is good for Chemical Systems when Inside-Out is not successful and for 3-Phase distillation. we need to use the Sparse Continuation Solver.) Due to the substantial changes that were introduced as part of adding the reaction to the column. (The column may run automatically after the solver is changed. HYSYS will change the solver to Newton-Raphson Inside-Out. and the reaction results on the Reactions tab. 1. 3. unusual profiles. an estimate of 55 oC (130 oF) for the 15th tray. Rerun the column by pressing the Run button. Reboiler and Side operations. and 100 oC (212 oF) for the Reboiler. 4. the reaction occurs on stages 5 .10 of the column. including the Condenser. enter a condenser temperature estimate of 50 oC (122 oF). On the Profiles page of the Parameters tab. Check the Active box on the ColumnReaction view. Results page. or otherwise difficult to converge towers. Reaction Sets in HYSYS can be attached to any of the stages in the column. The Sparse Continuation Solver can be used for highly non-ideal. 5. for this column.8 Reactive Distillation Adding the Reaction to the Column In this case. 7. The column should now solve. The column may not solve. Therefore. 6. 8 . Run the column. You can view the results on the Performance tab. The default column solver in HYSYS "HYSIM Inside-Out" is not capable of handling reactions in the column.

Reactive Distillation 9 8. Distillate . Complete the following table with information from the simulation.Mole Fraction Bottoms .Mole Fraction Component Methanol Acetic Acid Methyl Acetate Water Does the reaction inside the column have any effect on the compositions of the product streams? __________ Save your case! 9 .

10 Reactive Distillation 10 .

All Rights Reserved.Three Phase Distillation 1 Three Phase Distillation © 2000 AEA Technology plc .pdf 1 . Chem 11_1.

However. Learning Objectives In this module. these columns will not work for three phase systems. you should have some experience with installing distillation columns in HYSYS. 2 . The three phase system in this example consists of a 2-butanol. For this reason. • Why the Sparse Continuation Solver must be used to solve three phase columns. n-butyl-acetate system. it is necessary to use a different type of column that uses a different Input Expert. Previous experience with normal two phase systems will help you understand the principals behind the operation of three phase systems. and the liquid product from the reboiler is a mixture of the two other components (2-butanol and n-butyl-acetate). you will learn: • How to use the three phase distillation column in HYSYS. it is very difficult to model this type of column. Prerequisites Before beginning this module. When dealing with three phase systems. we must use the Sparse Continuation Solver to solve these systems.2 Three Phase Distillation Introduction In previous modules. The liquid product from the condenser is 98% pure water. The feed to the column is saturated liquid at atmospheric pressure. and a different default solver. water. we have installed distillation columns design for two phases. Due to the addition of a second liquid phase in the column. • When to use the Dynamic Initial Estimate Generator (IEG).

25 As you can see (using the ternary graph above).35 0. 3 . n-butyl-acetate.3 kPa (14. and 2-butanol. The composition of the feed stream is given in the following table: Component Water n-Butyl-Acetate 2-Butanol Mole Fraction 0. The ternary diagram for these three components at 25 oC (77 oF) and 101.9 psia) looks something like this: This plot was generated using the DISTIL software package produced by AEA Technology Engineering Software.Three Phase Distillation 3 Background The three phase stream that will be distilled here will consists of three components: water.40 0. this stream will lie within the two liquid phase region.

This solver is good for most hydrocarbon systems. You have already seen the input expert used by the "normal" two phase distillation column. Different Solvers With two phase distillation the most common solver that is used is the "HYSIM Inside-Out" solver. This more advanced solver is able to handle three phase. 4 .4 Three Phase Distillation The Differences Between Two and Three Phase Distillation With a normal two phase distillation setup. additional specifications are required to help the column converge. Different Input Experts The second major difference between two and three phase distillation is the different input experts that each uses. Different Column Specifications Finally. Fortunately. HYSYS is able to model the distillation of streams like this by using a different column setup routine. and you will find that setting up the three phases system is not that much more complicated. but it can not handle highly non ideal chemical systems. The input expert used by the three phase column is similar though slightly more complex. non ideal chemical systems. including three phase systems. Due to the complications that a second liquid phase adds to the column operation. the third major difference between the two column types is the additional column specification that are available when using the three phase column operation. The default solver for three phase columns is the "Sparse Continuation" solver. You already have experience with two phase systems. setting up columns to handle three phase streams is not that much more complicated than setting them up to handle two phase streams. Despite these apparent differences. that other solvers can not calculate. You will use this interface when we install the three phase column later in this module. it would be impossible to distil the stream described on the previous page.

Process Overview .

6 Three Phase Distillation Column PDF 6 .

25 0.9 psia) 50 kgmole/h (110 lbmole/hr) 0...3 kPa (14..Water Mole Fraction . we will use the NRTL Activity model with the UNIFAC VLE estimated interaction parameters for the unknown binaries. You will have to stretch the window in the horizontal direction in order to view all the information. The Simulation Environment Adding the Feed Stream Create a new stream and define it with the following information: In This Cell. Enter the Simulation Environment. Pressure Molar Flow Mole Fraction .n-B-Acetate Enter.2-Butanol Mole Fraction . Name Vapour Fraction The mass densities of the phases can be found on the Properties page. Feed 0.40 What is the Mass Density of the Liquid Phase? __________ and the Aqueous Phase? __________ Which phase is the "heavy" phase? ______________ 7 . The three required components are: • Water • 2-Butanol • n-B-Acetate On the Binary Coefficients tab.0 101. press the Unknowns Only button.. Begin a new HYSYS case and select the NRTL Activity model as the Property Package.Three Phase Distillation 7 Building the Simulation The Basis Environment In this case.35 0.

Select the Distillation radio button and press the Next button. The input expert for the three-phase distillation column is different from the input expert that was seen previously. As mentioned before. each page will be shown here. 8 . Note: Make sure that you install the Three Phase column operation. the Input Expert for the Three Phase column is slightly different than the one used for an ordinary Two Phase column.8 Three Phase Distillation Adding the Distillation Column Add a Three Phase Distillation Column operation to the simulation using one of the available methods. For this reason. not the two phase one. The first page of the expert allows you to select the type of column that you want to add to the model. The Three Phase Distillation Column icon.

enter names for the streams around the condenser. select the appropriate radio button in this group box. 9 . the Reflux Stream will be the Lights only. and set the "Two Liquid Phase Check" on the top five stages. therefore.Three Phase Distillation 9 On the next page. For this column. On the third page. set the number of stages at 6.

10 . define the reboiler energy stream and attach a liquid product stream to the reboiler.0 and the Light Reflux Fraction to 1. attach the Feed stream to stage 1. On the fifth page. From now on. once both of these values are entered.0. set the vapour rate to 0. The degrees of freedom should read 0. the screens will look familiar to the input expert screens that you have seen previously. Also.10 Three Phase Distillation On the fourth page.

On the next page. and 95 oC (185.Three Phase Distillation 11 On the next page. top stage and reboiler temperature estimates. respectively. you are asked to supply optional temperature estimates. 195. 90. set the condenser pressure at 101 kPa (14. and 205 oF) for the condenser. 11 .9 psia). and the reboiler pressure at 105 kPa (15.5 psia). Enter values of 85.

decrease the spec back to its original value. the Azeotropic Initialization button would have been pressed. and HYSYS would have checked for possible azeotropes among the selected components. 12 . increase the Bot Rate Spec value to 35 kgmole/h (80 lbmole/hr) and try again. You are automatically placed on the Column’s property view.12 Three Phase Distillation We are now done. Press the Done button to close the input expert. Press the Run button to converge the column. move to the Monitor page of the Design tab. How many Degrees of Freedom are shown here? __________ Enter a Bot Prod Rate of 33 kgmole/h (75 lbmole/hr). Once the column converges. and will reach a converged solution quickly. Note that if the formation of azeotropes were a concern in this column. the column should start to solve. If the column does not solve in the first attempt.

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