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

Ensure the Match cell is empty. Use either of the two previous methods to then select the desired component. 6 . To add the component either: 2. Full Name/ Synonym. 4. the list will change to match what you have entered. To add the component either: 2. and press the Family Filter…button. Click on the Match cell and enter the name of the component. Component List 1. or Formula by selecting the corresponding radio button. SimName. Select one of the three name formats. Select the desired family from the Family Filter to display only that type of 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 Family Filter 1. 3.6 Getting Started You can select components for your simulation using several different methods: To Use… Match Cell Do This… 1. As you start to type. scroll through the list until you find the desired component. Once the desired component is highlighted either: 2. 3. • 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. Using the scroll bar for the main component list.

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

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

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

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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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5 (5. Enter the following compositions: Enter This Mass Flow. 000) 0 0 For This Component… Chloroform Toluene Note: If there are <empty> values. Press the OK button when all the mass flows have been entered.14 Getting Started 5. either enter 0 or press the Normalize button. Close the Stream Property view. 14 . 7.0) 0 300 (600) 100 000 (200. Ethanol H2O Oxygen Nitrogen 6. kg/h (lb/hr) 2.

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

• Press the Save button on the button bar to save your case with the same name. Save your case! 16 . The Stream Property view displays. Double Click on the Material Stream button. Save button • From the File menu select Save to save your case with the same name. Double click on the Molar Flow cell and enter the following stream compositions: Enter This Mole Fraction… 0 0 0 0 0. 4.79 3. Change the name of the stream to Strip Air.16 Getting Started Adding a Stream from the Object Palette 1.21 0. • Form the File menu select Save As to save your case in a different location or with a different name. 2. 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. Material Stream button (Blue) If the Object Palette is not open on the Desktop. press the <F4> hot key to open it.

Once the . What is the vapour fraction? __________ Perform a dew point calculation on the stream Tol Rich. vapour fraction or molar enthalpy are known. With the flash capabilities of HYSYS. Only 2 of these 4 stream parameters. By specifying a vapour fraction of 1 and either the pressure or temperature of the stream. a vapour fraction of 0 and either pressure or temperature must be entered. 17 . pressure and vapour fraction.3 kPa (14. What is the bubble point temperature? __________ 2. Vf-P Vf-T. Temperature. pressure. P-Molar Enthalpy and T-Molar Enthalpy. To calculate the bubble temperature or pressure.3 kPa (14. Pressure or Molar Enthalpy can be supplied. Vapour Fraction. If you try to supply temperature. Set the pressure to 101. 3. HYSYS performs a flash calculation on the stream.7 psia). 1. calculating the other two parameters. Set the pressure to 101.7 psia). HYSYS will calculate the dew temperature or pressure. a consistency error can occur. What is the dew point temperature? __________ Perform a bubble point calculation on the stream Tol Rich. it is possible to perform dew and bubble point calculations. Perform a T-P flash calculation on the stream Tol Rich.3 kPa (14.7 psia) and the temperature to 90 °C (200 °F). Set the pressure to 101.Getting Started 17 Flash Calculations HYSYS can perform five types of flash calculations on streams: P-T. composition of the stream and two of either temperature.

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

The utility calculates dependent variables for up to two user specified independent variable ranges or values. 6. A Property Table utility will be added to the stream Tol rich from the stream property view. Switch to the Dep. The Property Table view displays. 8. Temperature is selected as Variable 1. Select Property Table from the menu on the right and press the Add Utility button.7 psia). and enter the following values: 90 kPa (13 psia). and Pressure is selected as Variable 2. Use the hot key combination <Ctrl><U> to open the Available Utilities window. 2. Press the OK button to return to the Ind. use the drop down menu to change its mode to State. Set the number on increments to 5. Press the Select Stream button and select the stream Tol rich. 1.5 psia). For the Pressure variable. Change the Lower Bound of the Temperature to 85 oC (185 oF) and change the Upper Bound to 100 oC (212 oF).4 psia). Prop page. 3. 5. and 120 kPa (17. 100 kPa (14. 110 kPa (16.0 psia). By default. 7. Prop tab. 19 . 101. 4.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.3 kPa (14.

Choose Mass Density from the drop down list. aqueous or vapour) or for the bulk phase. and select the Viscosity property. 20 . Press the Calculate cell to generate the Property Table. 10. Select the Liquid radio button. and select the Vapour Mass Fraction property. Select the Vapour radio button.20 Getting Started It is possible to choose multiple dependent properties for any of the single phases (liquid. and select the Aq. 13. 12. Select the Bulk radio button and highlight a cell in the Property matrix. 14. 9. Select the Aqueous radio button. 11. Mass Fraction property.

3 kPa (14. Examining the Results The Stream Property View Within HYSYS. Add the following temperatures and pressures to the streams: Pressure. 21 . 2.7 psia). 3.. kPa (psia) Eth rich Tol rich Strip Air 101 kPa (14. Open the property view for the stream Tol Rich.7 psia) 101 kPa (14. add a Temperature value of 90°C (195°F) and supply a pressure of 101.7 psia) 101 kPa (14. 700 lb/hr) to the stream Strip Air. 4. Press and hold the left mouse button and drag the edge of the view until all the phases can be seen.Getting Started 21 You can examine the Property Table results in either graphical or tabular formats on the Performance tab. Move the mouse cursor to the left or right side of the view until the cursor changes to resizing arrows. °C (°F) 15°C (60°F) 15°C (60°F) 25°C (77°F) Add a flowrate of 18 000 kg/h (39. 1.7 psia) Temp. it is possible to view the properties of the individual phases for any stream. Conditions page. 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. On the Worksheet tab.

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

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

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

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

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

__________ 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. Assuming the storage vessel has a 45 minute hold-up and the vessel is at atmospheric conditions (1 atm. 2. 5. __________ B.3 kPa (14. __________ The dew point pressure of stream Strip Air at 25°C (77 °F).7 psia). 3. __________ The mass fraction of toluene in the aqueous phase of the stream "Tol rich" at 15 °C (60 °F) and 101. 25°C.7 psia). Use the Workbook to find the following values: 1. Perform the following flash calculations: 1.7 psia). __________ The bubble point pressure of stream Tol rich at 15°C (60 °F).Getting Started 27 Exercise 1 A.7 psia). The dew point temperature of stream Eth Rich at 101 kPa (14.5 vapour fraction. __________ Exercise 2 The stream Eth Rich is stored in a 200 m3 (7000 ft3) vessel. 3. 4. 4.7 psia). __________ The temperature of stream Tol rich at 101 kPa (14. __________ The bubble point temperature of stream Strip Air at 101 kPa (14. 2. The vapour fraction of stream Eth rich at 15°C (60 °F) and 101 kPa (14.7 psia) and 0. 77 °F): What is the composition of the vapor space? _________ How full is the storage vessel? __________ 27 .

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

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

you are able to quickly check the results of one set of parameters and compare those results with another set. Learning Objectives Once you have completed this module. In this module. 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 .Thermodynamics and HYSYS 3 Proper use of thermodynamic property package parameters is key to successfully simulating any chemical process. 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. In addition.

Sour PR PR. PRSV PR. GS <10mm Hg. PRSV PR. steam correlations for accurate steam property predictions. Braun K10. CS or GS PR Activity Models. 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 . 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. PR Options. PR Options Steam Package. PRSV PRSV.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. ZJ or GS (see T/P limits) PR. PR Options. GS PR. and activity coefficient models for chemical systems. semiempirical and vapour pressure models for the heavier hydrocarbon systems. All of these equations have their own inherent limitations and you are encouraged to become more familiar with the application of each equation. Esso K Lee Kesler Plocker PR.

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

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

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

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

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

Thermodynamics and HYSYS 13 Binary Coefficients For the Property Packages which do include binary coefficients. In many cases. Depending on the property method chosen. For all EOS parameters (except PRSV). You have the option of overwriting any library value. the library interaction parameters for PRSV do have Kij = Kji. 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. but HYSYS does not force this if you modify one parameter in a binary pair. 13 . 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. but you have the option of overwriting any library value. different estimation methods may be available and a different view may be shown. both cells of the pair automatically update with the same value.

14 . 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. You can overwrite any value or use one of the estimation methods. • Set All to 0. Activity Model Interaction Parameters Activity Models are much more empirical in nature when compared to the property predictions in the hydrocarbon industry.0. setting all nonhydrocarbon pairs to 0.14 Thermodynamics and HYSYS If you are using PR or SRK (or one of the Sour options). Their tuning parameters should be fitted against a representative sample of experimental data and their application should be limited to moderate pressures. HYSYS sets all interaction parameter values in the matrix to 0. HYSYS provides the estimates for the interaction parameters in the matrix. 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. Note that the Kij = Kji rule does not apply to Activity Model interaction parameters.0 – when this is selected.0 – this radio button is the default selection.

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

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

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

2. Open case DIIPE. Notice that the interaction parameters for the binary are both set to 0. Select the Binary Coeffs tab of the Fluid Package. 4.18 Thermodynamics and HYSYS Exercise 1 Di-iso-Propyl-Ether/H2O Binary This example effectively demonstrates the need for having interaction parameters. Close the stream view and press the Enter Basis Environment button. Do the following: 1. 5.0. 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. 8. 7.0 1 atm 1 kgmole/h (1 lbmole/hr) What phases are present? __________ 3. Close the Fluid Package view. 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. What phases are now present? __________ What is the composition of each? __________ 18 . Press the Reset Params button to recall the default NRTL activity coefficient model interaction parameters. 6.

Chemistry Data Services. The majority of the default interaction parameters for activity coefficient models in HYSYS have been regressed based on VLE data from DECHEMA. 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. it can be seen how important it is to have interaction parameters for the thermodynamic model.Thermodynamics and HYSYS 19 Clearly.

2 . Fig.Using the Default HYSYS Interaction Parameters.Interaction Parameters set to 0. 20 .20 Thermodynamics and HYSYS Fig. 1 .

2. A set of interaction parameters can be obtained from sources such as DECHEMA and entered into HYSYS. 1. Open the case Phenolh2o. However.hsc.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. 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 . 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. 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).

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. Therefore.2. 2. 8. To enter the parameters do the following: 1. 22 . care must be exercised when simulating LLE as almost all the default interaction parameters for the activity coefficient models in HYSYS are for VLE. 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. Enter an Alphaij = 0. Open the stream view for Phenol/H2O. Close the stream view and press the Enter Basis Environment button. 7. Enter the Aij interaction parameters as shown here: 4. Return to the simulation environment by pressing the Return to Simulation Environment button. Close the Fluid Package view. 5. 6. Ensure the Fluid Package view is open and select the Binary Coeffs tab. 3. Select the Alphaij/Cij radio button.

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

an AEA Technology Engineering Software conceptual design and thermodynamic regression product. To implement these parameters.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. some data is available at 25°C giving the liquid-liquid equilibrium between CC6 and H2O. Open the case Ternary. 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.hsc. and the regression capabilities within DISTIL. 24 . you can obtain new interaction parameters. Fortunately. 2.2 for the CC6/H2O. proceed with the steps on the following page. The temperature dependent Bij parameters are to be left at 0 and the alphaij term is to be set to 0. Using this data.

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

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

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

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

Process Overview .

Simulation PFD .

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

3 kPa (14. Add a second stream with the following properties: Enter… Steam 1. Enter… Feed 0 101. Double-click on the Mass Flow cell to enter these values.6 Flowsheeting 4.7 psia) 50 kg/h (110 lb/hr) 0.0 275 kPa (40 psia) 1.3 0.0 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 . Vapour Fraction Pressure Flowrate Mass Fraction Surcose Mass Fraction H2O 5. Add a stream with the following values.7 In this cell… Name Note that the composition values for this stream are in Mass fractions.

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. 7 . 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. then click the Add UnitOp button. 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. you will add each operation using a different method of installation.Flowsheeting 7 Adding Unit Operations to a Flowsheet As with streams. drag’n’drop the icon from the Object Palette to the PFD. Or Press the <F12> hot key. Using the right mouse button. The UnitOps window displays.

Select Separator from the Available Unit Operations list. 3. 1. Press the Add button. contain lists of available streams which can be connected to the operation. 4. On the Connections page enter the data as shown here: Note: Drop down boxes. The UnitOps window displays: 2. The Separator property view displays. 8 . The Separator will be added using the <F12> hot key. Press the <F12> hot key.8 Flowsheeting Adding a Separator The Evaporator is modelled using a Separator in HYSYS. such as for Feed and Product streams.

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

enter a value of 2.29e4 Btu/hr) for the Energy stream q1. 9.10 Flowsheeting 6. 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 . 7. Go to the Worksheet tab.42e4 kJ/h (2. On the Worksheet tab. To completely define the separation we need to provide an energy flow. Enter a value of 0 kPa (0 psi) for the Pressure Drop. 8. Specify a Vapour Fraction of 0 for the stream Condensate.

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

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

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

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

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

On the Parameters page delete the pressure drop specification. Close this view.16 Flowsheeting 4. Enter the data shown below: 5. Double click on the Cooler icon on the PFD. Double click on the Separator. Connect the stream L2 as the Feed to the Separator. On the Parameters page specify a Pressure Drop of 0 kPa (0 psi). Drag ‘n’ drop the Separator onto the PFD. The Cooler property view displays. 2. Make the following connections: 3. 16 . Add the Third Separator 1. Go to the Worksheet tab and specify the Vapour Fraction of the stream C3 as 0. 6.

and 1. On the Parameters tab enter a value of –3 °C (-5°F) as the Offset. Add a Set operation and complete the Connections page as shown here: 2.0 for the Multiplier. 17 .Flowsheeting 17 Set Operation 1.

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

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

this will have to be verified separately. Note that HYSYS does not predict the formation of solids. Column. or Text Annotation). Place the mouse pointer over the icon you wish to inspect and press the secondary mouse button. You need to decrease the step size. A list of the objects which you can Object Inspect are shown below with 20 . There are a number of instances in which either the mouse or the keyboard can be used to perform the same function. One very important PFD function for which the keyboard cannot be used is Object Inspection. You can perform many of the tasks and manipulations on the icons in the PFD by using Object Inspection. An appropriate menu is produced depending upon the icon selected (Stream. enter a new value for q1 and restart the simulation. 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. Operation.

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

Triple Effect Evaporator. Double clicking on a title with a "+" sign will open an expanded menu. Click OK. In the Setup view. 3. You can add additional pages for specific Unit Operations to the WorkBook. select Heat Transfer Equipment. For example. press the Add button in the UnitOps group. Add a Workbook Table for the Material Streams in the simulation. Add a Table for stream L3. containing only Cooler information is added to the WorkBook. you can add a page to the WorkBook to contain only Coolers in the simulation. select Workbook. Add a Title. 2. 5. In the Menu Bar. 22 . and then Setup. 3.22 Flowsheeting Customize the PFD by performing the following: 1. To add a Unit Operation tab to the WorkBook: 1. Open the Workbook. 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. 4. From the New Object Type view. A new page. then Cooler. 2. Cooler.

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

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. 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. 24 .

Save the template as 3-Effect-Evap. 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. 25 . 6. Delete the Flow and Composition of stream Feed.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.tpl. Typically. 2. it needs to be made generic so it can be used with gas plants of various flowrates. Note that once a case has been saved as a template. 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. 3. Press the Convert to Template button. 1. 4. easily managed components • Can be created once and then installed in multiple cases Before you convert a case to a template. 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. Choose Main Properties from the Simulation menu. Answer No to the question “Do you want to save the simulation case”. 5.

26 Flowsheeting 26 .

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

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

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

Process Overview .

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. remaining carbon oxides are converted back into methane as completely as possible to minimise CO and CO2 carryover into the downstream process. In the course of this problem. we will use two of the reactor types in HYSYS to simulate the reactors in the steam reformation train: the Conversion and Equilibrium reactors. or any process which may utilise such a synthesis gas.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. 5 . ammonia production. Finally.

carbon monoxide. Press the Add Comps button to open the component selection view.6 Reactions Building the Simulation Defining the Simulation Basis For this simulation we will use the Peng Robinson EOS with the following components: methane. 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. The Fluid Package that you defined can be renamed to Steam-C1 reformer. 2. carbon dioxide. Here. Press the Simulation Basis Mgr button to open the Simulation Basis Manager view. hydrogen and water. Open the Fluid Package and select the Rxns tab. we will select the components that we will have use in our reactions. 6 .

Return to the Simulation Basis Manager view and press the Add Rxn button. All reactions must be defined this way. 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. 4. 6. Choose Equilibrium as the type from the displayed list. Move to the Basis tab and click the K vs T Table radio button. 7 . this is the HYSYS standard. Press the Add Reaction button and enter the necessary information as shown: 5.Reactions 7 3. This moves the entire component list over to the Selected Reaction Components group. Ensure that the FPkg Pool radio button is selected. Press the Add This Group of Components button.

5 3 14 63 243 817 Temperature. 8 . On the Keq790 tab. °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. In the absence of a catalyst and at 430 °C (800°F).0 Temperature. you will use the library values for the Equilibrium Constant. enter the following values: Keq 0.7 1. °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. proceed as above and enter the following values for the Equilibrium Constant: Keq 1. and reaction number 2 becomes the only reaction.3 1.2 1.8 Reactions 7.1 1.5 1. HYSYS contains a library of some of the most commonly encountered chemical reactions with their Equilibrium Constants. the rate of reaction number 1 in the Shift Reactor is negligible. Add the second Equilibrium reaction by selecting the reaction type as Equilibrium. CO + H2O ---> CO2 + H2 9. For the Shift Reactor. For reaction 2.

Rename this reaction Meth1. and add Reform1 and Reform2. Reactions are added by highlighting the <empty> field in the Active List group. and selecting the desired reaction from the drop down list.Reactions 9 10. Add a Conversion reaction for the reverse of reaction number 1. Adding the Reaction Sets Reaction Sets may contain more than one Reaction. On the Reactions tab of the Simulation Basis Manager. • 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. On the Library tab. This adds the reaction and all of the reaction’s data to the simulation. highlight the reaction with the form CO + H2O = CO2 + H2. 12. Rename the reaction Shift1. The reaction is: CO + 3H2 ---> H2O + CH4 11. 13. Name the first Set Reformer Rxn Set. 14. press the Add Set button. 1. There is limited flexibility for the mixing of reaction types within a Reaction Set. Move to the Basis tab and enter CO as the Base Component and enter 100 for the Co term. Press the Add Library Rxn button. you can create reaction sets for each type of reactor. Add the third Equilibrium reaction by selecting the reaction type as Equilibrium. The 9 .

1. 3. Shift and Methanator). highlight the Reformer Rxn Set and press the Add to FP button. Once all three reaction sets are added to the Fluid Package.10 Reactions view should look like this after you have finished: 2. Select the only available Fluid Package and press the Add Set to Fluid Package button. 2. 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. they must be added to the current fluid package in order for HYSYS to use them. you can enter the Simulation Environment and begin constructing the simulation. On the Reactions tab of the Simulation Basis Manager view. 10 . Repeat Steps 1 and 2 to add all three reaction sets (Reformer.

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

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

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

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

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

.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). Temperature 38°C (100°F) 35 kPa (5 psi) HX3 Shift Prod HX3-Q Amine Feed Enter. Connections Name Inlet Energy Outlet Parameters Delta P Worksheet Amine Feed.. 16 ... Make the connections as follows: In This Cell.

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

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

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

3.5. 2. From the Tools menu select Databook. you can use the Case Study tool in HYSYS to generate these numbers and still make your tee time! 1. The good news is.0. Select Shift Prod as the object. the dependent variables are calculated. You select independent variables to change and dependent variables to monitor. HYSYS varies the independent variables one at a time.5 and 4. On the Variables tab. 20 . The bad news is he or she wants the information first thing tomorrow morning (and you have a tee time in one hour). Both the independent and the dependent variables are added to the Databook from the Variables tab.0 times that of the natural gas.0. To illustrate the Case Study tool’s capabilities. press the Insert button to open the Variable Navigator. 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. 3. He or she wants to compare steam flow rates of 1. 3.5. 2. or use the <Ctrl><D> Hot Key to open the Databook.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. and with each change. 2. and CO2 as the variable’s specific. Comp Molar Flow as the variable.

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

22 .22 Reactions 9. 4. Press the Start button to begin the case study analysis. 11. Press the Results button to view the calculations. Enter values for Low Bound.5.25 respectively.0 and 0. and Step Size of 1. High Bound. 10.

Reactions 23 Exercise Using the Adjust Operation In this exercise." It will manipulate one process variable (this variable must be specifiable) until another variable is equal to a set target value. 3. only one method will be illustrated. 23 . 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. enter the ratio formula. for this exercise. In another spreadsheet cell (say B2) import the Mole Fraction of Methane of the same stream. In a third spreadsheet cell. The molar ratio of methane to hydrogen is not a normal process variable. (Note: return the multiplier value for SET-1 to the original value 2. but keep in mind that this is only one possibility.) 2. From the menu that appears. The process for doing this will be given here: 1. and use the variable navigator to choose the Mole Fraction of Hydrogen in the Product stream. Normally. 4. Right click on any spreadsheet cell (an example would be B1).5 before continuing here. There are several ways to do this. this is not the case here. the ratio formula will look like this: +B1/B2. If you used cells B1 and B2 in the two steps above. Add a Spreadsheet operation to the flowsheet. 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. the target variable can be selected using the variable navigator. The current value of this ratio should be around 7. therefore. however. 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. We need to import two variable into this spreadsheet. The Adjust operation in HYSYS is similar to a "steady state controller. select Import Variable. In this case.

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

Is the Adjust operation now able to converge with a target value of 100? __________ 25 .Reactions 25 Challenge A new application of the Product stream has been found. the molar ratio must be increased to 100. In other words. __________ Change the multiplier of the Set-1 operation to 5. 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. it requires that the amount of methane in the stream be less than 1% of the amount of hydrogen. However. remember that the products of a process are influenced by the inputs.

26 Reactions 26 .

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

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

3 .Column Operations 3 Learning Objectives Once you have completed this section. you need to be able to: • Add streams. 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. operations and columns.

Process Overview .

Column Operations 5 Column Overviews CO2 Wash Concentrator Lights 5 .

6 Column Operations Rectifier 6 .

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

250 lb/hr) 8 .433e-5 1.8759 0.457e-5 3.727e-5 2.141e-5 FromFerm 30°C (86°F) 102 kPa (15 psia) 46 720 kg/h (1.8 Column Operations Conditions Stream Name Temperature Pressure Mass Flow Composition .505e-5 9.Mass Fraction H2O 100% Steam A 140°C (284°F) 102 kPa (15 psia) 11 000 kg/h (24.026e-5 2.03e+05 lb/hr) Conditions Stream Name Temperature Pressure Mass Flow Composition .Mass Fraction Ethanol H2O CO2 Methanol Acetic Acid 1-Propanol 2-Propanol 1-Butanol 3-M-1-C4ol 2-Pentanol Glycerol 0.802e-5 2.808e-5 2.0601 4.0637 0.

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)... while the overhead vapour goes to the CO2Wash 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 .

simply run the Column again to produce a new converged solution. the Column appears as a single. parameters. or if different Interaction Parameters are best suited to the Column conditions. efficiencies. reactions. 10 . multifeed multi-product operation. 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. This allows you to make changes and focus on the Column without re-calculating the entire Flowsheet. you can treat the column in exactly that manner. Once you have made the necessary changes. you are free to view profiles. In many cases. check the box again. the main simulation can be “checked” by unchecking the Update Outlets box. All aspects of the Main Environment downstream of the Column will be paused until you are satisfied with the behaviour of the Column. stage summaries. Isolation of Column Solver When you are in the Column runner. From the Main Environment. and other data. equipment. as the Fluid Package in the Main Flowsheet may not necessarily be the best one in which to run the Column. 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. In the Column runner. as well as make changes to Column Specifications. You can enter the Column SubFlowsheet by pressing the Column Environment button on the Column Property View. and so on.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. To update the rest of the Flowsheet.

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

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

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

. In This Cell. However. By default. Connections Column Name No. we do not need a Draw Rate specification for this stream. HYSYS automatically creates a Draw Rate specification for that stream.14 Column Operations Concentrator This tower removes most of the Methanol from the Fermentor products. 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.. whenever a side draw stream is added to a column.5 psia) 102 kPa (15 psia) To Light Stillage A Rect Feed. therefore.. in this case. 14 . The Concentrator is an Absorber with a side vapour draw. we need to replace the Draw Rate specification that HYSYS added automatically with one that we will define to meet our simulation needs.. This eliminates the additional DOF that adding the side draw stream would normally produce. Stage 6 Enter.

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

On the Monitor page of the Design tab. 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. Complete the specification’s property view as shown below.95. ensure that the Ethanol Recovery specification is active and that all others are inactive. Save your case! 16 . Save your case. This specification will set the ratio of ethanol recovered in the specified stream compared to the amount of ethanol fed to the column.16 Column Operations 5. although it must exit the column in one of the other product streams. Press the Run button now to begin the column solver. We are not concerned about where the other 5% goes. and we need to set which specifications should be active and which HYSYS can use as estimates only. 7. 6. we have set this ratio at 0. Here. 8. We can now start the column runner and allow HYSYS to find a solution for this column.

.Column Operations 17 Lights The Lights Tower is a purification tower. Refluxed Absorber button In this cell. Connections (Input Expert Page 1) Column Name No.5 lbmole/hr) 5 17 .. 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.. 2nd EtOH 0 kPa (0 psi) 97 kPa (14 psia) 100 kPa (14.6 kgmole/h (3.5 psia) 1. Lights 5 To Light Partial To Rect CondDuty Light Vent.. Add the Refluxed Absorber column and enter the following data.

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

Type L.. Stage 2 Fusel. of Stages Inlet Streams Rect 59 ToRect.4 lb/hr) 100 kPa (14.Column Operations 19 Rectifier The primary product from a plant such as this would be the azeotropic mixture of ethanol and water. The Rectifier serves to concentrate the water/ethanol mixture to near azeotropic composition. The Rectifier is operated as a conventional distillation tower...3 kg/h (9. Distillation column button Add a Distillation Column and enter the data shown here.0 kg/h (4. Stage 44 Condenser Type Overhead Vapour Overhead Liquid Bottoms Liquid Condenser Energy Reboiler Energy Optional Side Draws Stream 1st Prod. Stage 38 RectFeed. Type L. It contains a partial condenser as well as a reboiler. 19 . In This Cell. Stage 37 Pressures Condenser Reboiler Specifications Reflux Ratio Ovhd Vap Rate Distillate Rate 7100 4.5 psia) 105 kPa (15 psia) Partial RectVap RectDist Stillage B RectCond Q Rect Reb Q Enter.. Connections Column Name No.5 lb/hr) 2.

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

efficiencies on stages with feeds. Press the Run button to converge the column.1 The side liquid draw. Multi. 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. In HYSYS.0. On the Efficiencies page of the Parameters tab. Simply taking the actual number of trays and multiplying by the efficiency less than 1.55 for all the stages except feed and product stages (2. have to be left at their default value of 1.. Once the column has converge. An overall efficiency can be applied when setting up the column or efficiencies can be specified for specific trays in the column.V. The HYSYS column solver is not able to handle non-ideal feed and draw stages at this time.0. 21 . Fusel. 6. 5. the Fusel draw rate can be returned to its original level. 44.0 generates the theoretical stages. Murphree. where it must remain at 1. 747. add Stage Efficiencies of 0. You can save time during this step by entering the value (0. 1. you can view Due to the fact that HYSYS calculation of non-ideal trays does not take into account side-streams. There are two ways of accounting for less than ideal stages in HYSYS. E. 17. we need to have this box checked so that HYSYS is able to handle this situation. Setting the damping factor at adaptive allows HYSYS to adjust this parameter to help ensure that the solver can reach a solution. efficiencies are defaulted to 1.. set the Damping Factor to Adaptive and ensure that the Azeotropic check box is checked. 1925. and try again. Applying an overall efficiency is the most straightforward. is added at stage 37 of Rect. Ind. They can be user-modified in the appropriate tab of the Column Property view. 37. On the Solver page of the Parameters tab. 38.Column Operations 21 4.55) in the Eff. and 59). Eng. Draw Stream Location Theoretical trays assume that the liquid and vapour products are in thermodynamic equilibrium. If the column does not converge quickly. and pressing the Specify button. and in most situations. In reality. selecting a number of cells on the right. columns can never achieve this perfect mixing and separation. Spec cell. To determine if this is an appropriate stage to recover the heavy alcohols. draws (reboilers and condensers included) and equipment connected to columns. the recommended approach for modelling any tower. Efficiencies are applied to individual stages calculation using Murphree’s formula. Due to the azeotropic nature of ethanol and water. stop the solver and increase the Fusel draw rate spec value to 10 kg/h (20 lb/hr). Feed. Chem. draws and equipment must be located appropriately.

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

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

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

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

2 Ethylene Glycol Plant Workshop Ethylene glycol has many industrial uses: a feed stock for polyester resins. a hydrate inhibitor in natural gas pipelines. you need to be able to: • Add and define the simulation basis. 2 . 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. • Add streams and operations to a simulation. and reactions. including components. property packages. Learning Objectives After completing this module. 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. or an industrial solvent. an all-weather antifreeze and coolant. Ethylene oxide and water are fed to a reactor to produce ethylene glycol.

Process Overview .

Column Overview .

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

Return to the Rxns tab of the Fluid Package.0e+04 No reverse reaction is defined in this example. 6. In This Cell... 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 Enter Simulation Environment button.. Press the Add Set button to add the Global Rxn Set to the Current Reaction Sets group.. Complete the Basis and Parameters pages as below: Enter.0e+06 5.6 Ethylene Glycol Plant 4. Return to the Simulation Basis Manager by closing the Kinetic Reaction window. 6 . 5. Close the Fluid Package view.

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

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

Save your case! 9 . Note: HYSYS generates column temperature estimates if none are provided..0 lbmole/hr) 3. 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.. Connections Name No...Ethylene Glycol Plant 9 Ethylene Glycol Tower The Ethylene Glycol tower will be modelled as a Distillation Column. Stage 5 Partial Vent Distillate Bottoms Product Cond Duty Reboiler Duty Enter.5 psia) 0 kPa (0 psi) 105 kPa (15 psia) T-100 10 Rx Liquid. Add the column with the following information: In This Cell.0 kgmole/h (0.0 150°C (300°F) 100 kPa (14.

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

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

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

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

Be sure to "Ignore" the Recycle operation before starting the Case Study. The temperature range can be between 45 and 110 °C (100 and 240 °F).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. with a step of 10 °C (20 °F). by adjusting the EOx Feed molar flow with a step size of 1 kgmole/h (2 lbmole/hr). 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). What EtOx feed rate is required to produce the specified molar flow of Ethylene Glycol? __________ 14 .

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

16 Ethylene Glycol Plant Recycle Exercises Choosing the Right Location When installing Recycle operations in a HYSYS simulation." 16 . The Mixer is set to "equalize all. Pressure drop of "Condenser" Operation. Several guidelines were given on a previous page. and several different problems will be given here. 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". Pressure of "Chiller Out" stream. it is vital that right location for the operation be chosen. Pressure drop and Duty of "Chiller" operation. Note that some of these flowsheet may require more than one Recycle operation.

shell and tube side pressure drops for E-100 and E-101. 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.Ethylene Glycol Plant 17 Flowsheet 2 Where should the Recycle be placed in this flowsheet and why? Assume that the Feed is fully defined. 17 . as well as the Column Feed temperature.

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

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

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

Process Overview .

Column Overview .

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

00 Benzene -37.206 21.364 0.172 0.200 0. and Alphaij are shown below: Aij Interaction H2O H2O Benzene Toluene -1973.13 Toluene 4788.12 Toluene -7.303 Benzene 0. Bij.038 0.038 Toluene 0.516 3.389 Benzene 11090.303 6 .6 Aromatic Stripper The Activity Coefficients for Aij.00 Alphaij Interaction H2O H2O Benzene Toluene 0.200 0.555 Bij Interaction H2O H2O Benzene Toluene 50.516 -1973.593 -14.

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

Mole Fraction H2O Benzene Toluene Reflux 35°C (95°F) 240 kPa (35 psia) 10 kgmole/h (22 lbmole/hr) 1. Pressure Molar Flow Composition .0 0 0 8 .8 Aromatic Stripper Starting the Simulation Add the following streams with the following information: In This Cell.0013 0. Eventually. Stream Name Temperature The information supplied here is only an initial estimate..050 lb/hr) Enter..9982 0..Mass Fraction H2O Benzene Toluene 0. this stream will be part of the recycle loop. Conditions Stream Name Temperature Pressure Mass Flow Composition ..0005 Feed 95°C (205°F) 240 kPa (35 psia) 10 000 kg/h (22.

make the new specification Active. 9 . 1.00001 for Benzene and Toluene for the second stage.Profiles page enter temperature estimates for stages 1 and the Reboiler of 100°C (212°F) and 125°C (260°F)respectively. Connections Name Inlets Outlet MIX-100 Feed. 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.. On the Parameters .Aromatic Stripper 9 Add A Mixer Install a Mixer with the following values: In this cell. On the Monitor page. Connections Column Name No. Add a Reboiled Absorber Add a Reboiled Absorber with the following information: In this cell. Reflux Strip Feed Enter.... 3.. Close the view and enter the Basis Environment.. 2. Go to the Specs page and specify a Component Mass Fraction of 0...

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

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

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

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 .

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

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

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

There are two tolerances that the column must meet before it can be considered as solved. 2.8 The Optimizer Changing the Column Tolerances In order for the optimizer to work properly. we have to tighten the tolerances of the column solver. but this column solves very fast anyway. 8 . We are now ready to begin to optimize the column. • The Equilibrium Error Tolerance • The Heat/Spec Error Tolerance We want to set the value for both of these tolerances at 1e-6. Enter 1e-6 for both the tolerance values. To change the tolerances. These cells are located in the Solving Options group box. so the tighter tolerances are acceptable in this case. follow these steps: 1. Access the Solver page of the Parameters tab. This completes the changing of the tolerances. Note that this will increase the solving time of the column.

9 . Optimization methods are now available that give the process engineer the necessary tools to perform on-going process improvement studies. • Primary Variables . In solving the Objective Function. you can use the Optimizer to find the operating conditions which minimize or maximize an Objective Function.The Optimizer 9 Adding the Optimizer In today’s highly competitive market place. Typically. • Objective Function . the Optimizer must also meet any constraints that are defined by the user. HYSYS contains a multi-variable Steady State Optimizer.this is the function which is to be minimized or maximized. • Constraint Functions . Once your Flowsheet has been built and a converged solution has been obtained. Open the case OptOptimizer. optimization studies involve an ‘economic model’ composed of a Profit Function and operating constraints. This allows you to construct Objective Functions which maximize profit. This allows the user a great deal of flexibility in defining the function.inequality and equality functions are defined in the Spreadsheet. with stringent plant emissions controls and increased competition. The Optimizer owns its own Spreadsheet for defining the Objective Functions as well as any constraint expressions to be used. which are used to set the search range. a plant’s survivability is often determined by its ability to remain competitive. minimize utilities or minimize exchanger UA.these are flowsheet variables whose values are manipulated in order to minimize (or maximize) the objective function. You set the upper and lower bounds for the primary variables. Optimization studies lead directly to improved plant performance.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. efficient plant operation and finally to increased profitability. The function has to be defined within the Spreadsheet.

The Profit Function is a function of the revenue generated from desired products THF and Toluene. In this case. the economic model includes operating constraints (equality or inequality constraints or equations). within the limit of product purity constraints. While increased profits is directly linked to increased production of the desired product. Performance Criterion or Performance Index) requires calculating a net profit for the column. we have no process constraints. operating costs are associated with the column utility requirements for the reboiler and condenser. The operating constraints comprise the model of the process or equipment. or press <F5>. In our column. plant profitability is generally offset by operating costs.10 The Optimizer In our column example. 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. Which variable can we change to affect the Revenue?________ To invoke the Optimizer. 10 . the Profit Function/Cost Function (sometimes referred to as the Objective Function. select Optimizer under Simulation in the Menu Bar.

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

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

Select Import Variable. and use the variable navigator to locate the desired variable. 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. • • • • • • • • • 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 Optimizer 13 Adding Formulas Complex mathematical formulas can be created. using syntax that is similar to conventional Spreadsheets. Special Functions must be preceded by the @ symbol.. 13 ... All common functions must be preceded by a + symbol. 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.. Cell. B1 B2 B3 B4 B5 B6 Object.. Use this method to import the variables above now. Arithmetic. Cond Q Reb Q THF THF Toluene Toluene Variable. logarithmic and trigonometric functions can be performed in the Spreadsheet..

What is the value of cell D8. The Objective Function is placed in Cell D8.163*b6^3 ($/kg) +0.737 ($/kWh) 0. the Profit? __________ 14 . you may have to add an additional term to this equation to convert between hours and days. if desired. +(b3*d4+b5*d6)-b7*d7-(b1*d1+b2*d2)/3600 Pay special attention to the units in this equation.333*b4^3 ($/kg) Cell D4 Equation (Field) +0. The comments can be added.024 ($/lb) Comment Cooling Cost Heating Cost Feed Cost Enter the following product prices: Equation (SI Units) +0.14 The Optimizer Enter the following constants on the spreadsheet. If using field units. The equation is: You can change the Variable Type to Unitless for dollar value variables.074*b6^3 ($/lb) Note: the prices of the products decrease as the impurities increase. Cell D1 D2 D7 Value (SI Units) 0.151*b4^3 ($/lb) Description THF Price (corrected for purity) Toluene Price (corrected for purity) D6 +0.05 ($/kg) Value (Field) 138 ($/MMBtu) 216 ($/MMBtu) 0.471 ($/kWh) 0.

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

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

2 kg/h (4517.95 2049.926e5 kJ/h (9. 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) 0.8 kg/h (3639.3 $/hr Optimized Case THF purity Toluene mass flow Toluene purity Cond duty Reb duty Profit 17 .7 lb/hr) 0.408e5 Btu/hr) 1.95 9.5980e6 kJ/h (1.

18 . On the Functions tab of the Optimizer press the Add button.95 for the THF and Toluene purity specifications. Go to the column subflowsheet. and the constraint value must be written in the spreadsheet. 1. 4. Monitor page. profit and products purities. Type in the reference of the cell where the value of the constraint is written. 3. Remember to write the comments next to the values so that they can be understood.85 m3/h (65. use the scroll down arrow to find the less than sign. Type in the reference of the cell where the variable constraint is located. On the Design tab. 2.18 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. In the Cond column.5 ft3/hr). Go to the Monitor tab and start the Optimizer. Re-run the column. 1. First. 2. The constraint on the liquid flow is that it must not exceed 1. 3. The THF Liquid Flow must first be imported into the spreadsheet (use an empty cell). The constraint values are positive if inequality constraints are satisfied and negative if inequality constraints are not satisfied. enter the initial value of 0. the case must be set back to its state before the optimization.

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 1650.2 kg/h 0.3 $ 19 .926e5 kJ/h 1. if any.95 2049.The Optimizer 19 What differences.5980e6 kJ/h 106.8 kg/h 0.95 9.

(Note that there are a few approaches that can be taken with the heat exchanger modelling so two of the possibilities are listed).. 7. Add a new internal stream (on the Flowsheet tab). Add Water as a component. Liquid Total 10 Yes In This Cell. The cost of the 115 psia steam is 0. Run the column. ToReb with the following attributes: Enter.0). 5. Set the Shell and Tube side pressure drops to 0. on the Monitor page. 8.. Open the Column’s Property viewer. 2. 20 . Return to the Main Environment (notice that the "To Reb" stream is now shown on the PFD.. 1. Specify the Steam inlet conditions at Vf = 1. The stream ToReb is the shell side feed and steam is on the tube side. 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). Flow = 770 kg/h (1700 lb/hr).0.. reset the THF and Toluene purity specifications to 0.682 $/kWh ($200/MMBtu). Use the Mixed optimization scheme for this exercise. Add a heat exchanger. The outlet steam is at its bubble point (Vf = 0. This must be done in the Basis Environment.95. Type Net/Total Stage Export 4. 3. What is the Heat Exchanger Duty? __________ 6. we are going to model the reboiler with a steam-heated shell and tube heat exchanger.20 The Optimizer Exercise 2 Here. Add a Duty Spec to the Heat Exchanger but do not specify a value (pass is Overall). P = 790 kPa (115 psia).

The Adjusted Variable is the Steam flow rate and the Target Variable is the Spec Calc Value (Duty Spec). Change the Heating Cost value to 0. 21 .The Optimizer 21 9.682 $/kWh ($200/MMBtu) (Cell D2 on the spreadsheet) and Start the Adjust. The value in this new cell can then be exported to the Target Value of the Adjust operation. Start the Optimizer. 12. Copy the value of cell B2 to another empty cell by entering the formula "+B2". 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. 10. 13. Add the Steam Mass Flow (must be less than 840 kg/h (1850 lb/ hr)) constraint to the Optimizer. What is the Exchanger Duty and what is the Steam mass flow rate? __________ & __________ 11. Add an Adjust operation. A cell on the spreadsheet can not be simultaneously imported and exported.

22 The Optimizer 22 .

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

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

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

8 Azeo Distillation with LL Extractor Calculation for Required Acetone Flow Then.482*0.688/0. A slightly greater flow will be used (95 kg/h {210 lb/hr}) to ensure separation of the Benzene/Cyclohexane azeotrope. for an initial mass flowrate of the Azeo Feed stream of 85 kg/h with the given composition. the amount of Acetone required will be 90.312). 8 .34 kg/h (85*0.

Stage 21 Condenser Type Overhead Liquid Bottoms Liquid Outlet Reboiler Energy Stream Pressures Delta P Condenser Reboiler Temp. On the Parameters tab.998 0.998 10. Insert a Distillation Column with the following data: Enter. In This Cell. Reflux Ratio (Estimate) Azeo Liq Draw (Estimate) Total Azeo Liq Benzene Q Reb 0 95 kPa (13..5.. of Stages Condenser Energy Stream Inlet Streams T-100 28 Q-Cond Azeo Feed.Azeo Distillation with LL Extractor 9 Adding the Azeotropic Distillation Column 1. 3. we must check the Azeotropic box on the Solver page. check the Azeotropic box and supply a Fixed Damping Factor of 0.. 9 . Estimates Condenser Reboiler Specifications Benzene Recovery in Reboiler Acetone Recovery in Cond Because we expect an azeotrope to be present in this column.0 130 kg/h (285 lb/hr) 2.7 psia) 55°C (130°F) 80°C (175°F) 0. Stage 6 Acetone.75 psia) 101.3 kPa (14. Run the column. Connections Column Name No.. Solver page.

Extraction based on chemical differences is sometimes preferable to distillation. Some examples of situations when extraction is preferred are listed below: • Excessive amounts of heat are required for distillation . 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. a solvent. can therefore be discussed in terms of two processes: • The mixing of a feed solution. which is separation based on relative volatilities. 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. or have a limited solubility in the feed solution. The extraction operation. on a stage by stage basis. These situations can be found in all process industries. In addition. 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.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.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. 10 .

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

1.. Conditions Stream Name Temperature Pressure Mass Flow Mass Fraction H20 Water 25°C (77°F) 101.0 12 . forming two liquid phases. and then examining the phase separation while varying the solvent flow.7 psia) 200 kg/h (440 lb/hr) 1. A rough estimation of the solvent flow can be obtained by using a Mixer.. In This Cell.. Use a flow of 200 kg/h (440 lb/hr) of Water.3 kPa (14. However. the flow determined can only be used as an estimate.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. because the extractor is divided into stages. Enter the following data for the stream Water: Enter..

Add the Liquid-Liquid Extractor with the following data: Enter. 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..3 kPa (14.7 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. Connections Column Name No..7 psia) 25°C (77°F) 25°C (77°F) 28°C (82°F) 33°C (91°F) 3.3 kPa (14. 13 . In this cell. Profiles page. Profiles page of the column property view. supply an estimate of 48 kg/h (105 lb/hr) for the overhead light liquid..Azeo Distillation with LL Extractor 13 2.. On the Parameters tab.

Return to the Simulation Environment. 14 .14 Azeo Distillation with LL Extractor 4. 5. Run the column. Go to the Basis Environment and select LLE Basis as the Fluid Package for the Liquid-Liquid Extractor.

Stage 17 Total AcetRich H2O Rich RecCond Q RecReb Q 53 kPa (7. To keep the number of stages reasonable.9998 2.75 psia) 56 kPa (8 psia) 35°C (95°F) 80°C (175°F) 7 0. 3.. Supply a Damping Factor of 0. Connections Column Name No. Add the Solvent Recovery Tower as a Distillation Column with the following data: Enter.. 1.Azeo Distillation with LL Extractor 15 Adding the Solvent Recovery Tower The Solvent Recovery tower. an overhead pressure of 53 kPa will be used. 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.. which separates the Acetone from the Water. Run the column. In This Cell..8. (Once again the data was obtained from HYSYS Conceptual Design Application). presents a difficult separation at atmospheric pressure. 15 .

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

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

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

respectively. The streams containing the lost solvents are the make-up streams which will be mixed with the recycled streams from the solvent Recovery Tower.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. 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. Balance operations are used. To calculate the exact amount that is lost in the products. These are not real operations but only mathematical ways of obtaining the make-up values. 19 . 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.

. Specify the Temperature and Pressure of Rec Acet to be 55°C (130°F) and 101.. 3. specify the Balance Type as Mole.. Specify the Temperature and Pressure of Rec H2O to be 25°C (77°F)and 101. Add the second balance operation with the following information.3 kPa (14. 20 . On the Parameters tab. On the Parameters tab. Enter..7 psia).20 Azeo Distillation with LL Extractor Add the Balance Operations Add two Balance operations with the following data: In This Cell. 1.3 kPa (14.... 2.7 psia). 2. specify the Balance Type as Mole. Connections Name Inlet Streams Outlet Streams BAL-1 Benzene Rec Acet Enter. Connections Name Inlet Streams Outlet Streams BAL-2 CycloC6 Rec H2O 1.. In This Cell.

7 psia) X-100 Rec H2O H2O Make-up Frac CycloC6 Enter.3 kPa (14....0 101. Specify the temperature of one of the product streams to be 25°C (77°F).3 kPa (14.0 1.7 psia) 101. The temperature in the other stream will be calculated from the energy balance around the operation.Azeo Distillation with LL Extractor 21 Add the Component Splitters Add two Component Splitters with the following information: In This Cell.. Connections Name Inlets Overhead Outlet Bottoms Outlet Parameters Overhead Pressure Bottoms Pressure Splits Benzene CycloC6 Acetone H2O 0 0 1. 21 .

7 psia) 0 0 1.0 1.22 Azeo Distillation with LL Extractor In This Cell.7 psia) 101.3 kPa (14.. 22 . X-101 Rec Acet Acet Make-up Frac Benzene 101..0 Specify the temperature of the product streams to be 55°C (130°F)... Connections Name Inlets Overhead Outlet Bottoms Outlet Parameters Overhead Pressure Bottoms Pressure Splits Benzene CycloC6 Acetone H2O Enter.3 kPa (14.

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.. Connections Name Inlets MIX-101 H2O Cool H2O Make-up Outlet H2O to Rec 23 ..

.0 RCY-1 H2O to Rec Water Enter. In This Cell. the Flow Tolerance is set to 1 and the Composition Tolerance is set to 1.0 1.0 RCY-2 Acet to Rec Acetone 24 . Connections Name Inlet Outlet Parameters Vapour Fraction Temperature Pressure Flow Enthalpy Composition 10.0 10...0 10.0 10.0 1.24 Azeo Distillation with LL Extractor Add the Recycles The input for the recycles is shown below.0 10. Note that because of the nature of the process.0 1. Connections Name Inlet Outlet Parameters Vapour Fraction Temperature Pressure Flow Enthalpy Composition 10.0 10.. Put the case in Hold mode before adding the recycles.0 10.0 1. The Recycles are installed as Simultaneous.

Having completed the recycles and converged the whole flowsheet. 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.

26 Azeo Distillation with LL Extractor 26 .

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

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

Process Overview .

Column Overview .

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

Mole Fraction Component Methanol Acetic Acid Methyl Acetate Water 6 .. Stage 10 Total Distillate Bottoms Cond Q Reb Q Enter..6 Reactive Distillation Add the Distillation Column Add a Distillation Column with the following connections: In This Cell. Connections Column Name No.Mole Fraction Bottoms .. 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. 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 .

2. for the Forward Reaction enter the Arrenhius Parameter as A=1. and for the Energy Parameter E=2.0e5. 7. press the Add Rxn button. From the Available Reactions group. Add the Global Rxn Set to the Current Reaction Sets group by pressing the Add Set button. Remember that reactants are negative and products are positive. Leave the Basis and Rate Units at their default values. Go to the Basis tab. 4. The Base Component is methanol and the RxnPhase is Liquid. From the Flowsheet menu. Select Kinetic from the list of reactions and press the Add Reaction button. Close the view. 6.0e4 Btu/lbmole). select Reaction Package. 3. Enter the stoichiometric coefficients on the Stoichiometry tab.3e4 kJ/kgmole (1.hsc The reaction occurring in this simulation is a Kinetic reaction. 5.Reactive Distillation 7 Adding the Reaction Another way to add reactions in HYSYS is through the Simulation Environment. 7 . On the Parameters tab. Open the case OptReact. CH3OH + CH3COOH = CH3CH3COO + H2O 1. The reaction status should now be Ready.

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

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 . Distillate . Complete the following table with information from the simulation.Reactive Distillation 9 8.Mole Fraction Bottoms .

10 Reactive Distillation 10 .

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

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

and 2-butanol.40 0.35 0. The composition of the feed stream is given in the following table: Component Water n-Butyl-Acetate 2-Butanol Mole Fraction 0.3 kPa (14. The ternary diagram for these three components at 25 oC (77 oF) and 101.25 As you can see (using the ternary graph above). 3 .Three Phase Distillation 3 Background The three phase stream that will be distilled here will consists of three components: water.9 psia) looks something like this: This plot was generated using the DISTIL software package produced by AEA Technology Engineering Software. n-butyl-acetate. this stream will lie within the two liquid phase region.

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

Process Overview .

6 Three Phase Distillation Column PDF 6 .

The Simulation Environment Adding the Feed Stream Create a new stream and define it with the following information: In This Cell.n-B-Acetate Enter. Name Vapour Fraction The mass densities of the phases can be found on the Properties page.9 psia) 50 kgmole/h (110 lbmole/hr) 0.Water Mole Fraction .40 What is the Mass Density of the Liquid Phase? __________ and the Aqueous Phase? __________ Which phase is the "heavy" phase? ______________ 7 .2-Butanol Mole Fraction .25 0.. You will have to stretch the window in the horizontal direction in order to view all the information.Three Phase Distillation 7 Building the Simulation The Basis Environment In this case. Pressure Molar Flow Mole Fraction . we will use the NRTL Activity model with the UNIFAC VLE estimated interaction parameters for the unknown binaries.. Feed 0. Begin a new HYSYS case and select the NRTL Activity model as the Property Package. press the Unknowns Only button..35 0.0 101.3 kPa (14. The three required components are: • Water • 2-Butanol • n-B-Acetate On the Binary Coefficients tab. Enter the Simulation Environment..

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

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

On the fifth page.0 and the Light Reflux Fraction to 1. The degrees of freedom should read 0.10 Three Phase Distillation On the fourth page. the screens will look familiar to the input expert screens that you have seen previously. attach the Feed stream to stage 1. 10 . set the vapour rate to 0. From now on.0. once both of these values are entered. Also. define the reboiler energy stream and attach a liquid product stream to the reboiler.

Three Phase Distillation 11 On the next page.9 psia). and 205 oF) for the condenser. and the reboiler pressure at 105 kPa (15. top stage and reboiler temperature estimates. 11 . On the next page. and 95 oC (185. 90. respectively.5 psia). set the condenser pressure at 101 kPa (14. Enter values of 85. you are asked to supply optional temperature estimates. 195.

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

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