01 Simulation Basis

Copyright Notice

The copyright in this manual and its associated computer program are the property of AEA Technology - Hyprotech Ltd. All rights reserved. Both this manual and the computer program have been provided pursuant to a License Agreement containing restrictions on use.

Hyprotech reserves the right to make changes to this manual or its associated computer program without obligation to notify any person or organization. Companies, names and data used in examples herein are fictitious unless otherwise stated.

No part of this manual may be reproduced, transmitted, transcribed, stored in a retrieval system, or translated into any other language, in any form or by any means, electronic, mechanical, magnetic, optical, chemical manual or otherwise, or disclosed to third parties without the prior written consent of AEA Technology Engineering Software, Hyprotech Ltd., Suite 800, 707 - 8th Avenue SW, Calgary AB, T2P 1H5, Canada.

2000 AEA Technology - Hyprotech Ltd. All rights reserved.

HYSYS, HYSYS.Plant, HYSYS.Process, HYSYS.Refinery, HYSYS.Concept, HYSYS.OTS, HYSYS.RTO and HYSIM are registered trademarks of AEA Technology Engineering Software - Hyprotech Ltd.

Microsoft Windows, Windows 95/98, Windows NT and Windows 2000 are registered trademarks of the Microsoft Corporation.

This product uses WinWrap Basic, Copyright 1993-1998, Polar Engineering and Consulting.

Documentation CreditsAuthors of the current release, listed in order of historical start on project:

Sarah-Jane Brenner, BASc; Conrad, Gierer, BASc; Chris Strashok, BSc; Lisa Hugo, BSc, BA; Muhammad Sachedina, BASc; Allan Chau, BSc; Adeel Jamil, BSc; Nana Nguyen, BSc; Yannick Sternon, BIng;Kevin Hanson, PEng; Chris Lowe, PEng

Since software is always a work in progress, any version, while representing a milestone, is nevertheless but a point in a continuum. Those individuals whose contributions created the foundation upon which this work is built have not been forgotten. The current authors would like to thank the previous contributors.

A special thanks is also extended by the authors to everyone who contributed through countless hours of proof-reading and testing.

Contacting AEA Technology - HyprotechAEA Technology - Hyprotech can be conveniently accessed via the following:

Website: www.software.aeat.comTechnical Support: [email protected] and Sales: [email protected]

Detailed information on accessing Hyprotech Technical Support can be found in the Technical Support section in the preface to this manual.

Table of Contents

Welcome to HYSYS ........................................... viiHyprotech Software Solutions .............................................viiUse of the Manuals ..............................................................xiTechnical Support ............................................................. xvii

HYSYS Thermodynamics ...............................xxiii

1 Fluid Package...................................................1-11.1 Introduction........................................................................ 1-31.2 Fluid Packages Tab........................................................... 1-41.3 Adding a Fluid Package - Quick Start ............................... 1-51.4 Fluid Package Property View ............................................ 1-61.5 References...................................................................... 1-72

2 Hypotheticals ...................................................2-12.1 Introduction........................................................................ 2-32.2 Hypo Manager................................................................... 2-42.3 Quick Start - Adding a Hypothetical .................................. 2-52.4 Creating a Hypo Group ................................................... 2-112.5 Hypothetical Component Property View.......................... 2-222.6 Solid Hypotheticals.......................................................... 2-302.7 Cloning Library Components........................................... 2-332.8 Hypo Controls.................................................................. 2-352.9 References...................................................................... 2-36

3 HYSYS Oil Manager ..........................................3-13.1 Introduction........................................................................ 3-33.2 Quick Start 1 - TBP Assay................................................. 3-43.3 Quick Start 2 - Sulfur Curve ............................................ 3-18iii

3.4 Oil Characterization......................................................... 3-243.5 Petroleum Fluids Characterization Procedure................. 3-283.6 Oil Characterization View................................................ 3-323.7 Characterizing Assays..................................................... 3-34

iv

3.8 Pseudo Component Generation...................................... 3-643.9 User Property .................................................................. 3-77

3.10 Correlations and Installation............................................ 3-813.11 References...................................................................... 3-88

4 Reactions..........................................................4-14.1 Introduction........................................................................ 4-34.2 Quick Start......................................................................... 4-44.3 Reaction Component Selection......................................... 4-74.4 Reactions ........................................................................ 4-114.5 Reaction Sets .................................................................. 4-37

5 Component Maps..............................................5-15.1 Introduction........................................................................ 5-35.2 Component Maps Tab....................................................... 5-35.3 Component Map Property View ........................................ 5-4

6 User Properties ................................................6-16.1 Introduction........................................................................ 6-36.2 User Property Tab............................................................. 6-36.3 User Property View ........................................................... 6-5

A- Property Methods and Calculations.................A-1A.1 Selecting Property Methods ..............................................A-3A.2 Property Methods..............................................................A-8A.3 Enthalpy and Entropy Departure Calculations ................A-41A.4 Physical and Transport Properties ..................................A-48A.5 Volumetric Flow Rate Calculations..................................A-54A.6 Flash Calculations ...........................................................A-59A.7 References......................................................................A-66

B- Petroleum Methods/Correlations .....................B-1B.1 Characterization Method ...................................................B-3B.2 References......................................................................B-10

C- Amines Property Package................................C-1C.1 Amines Property Package................................................ C-3C.2 Nonequilibrium Stage Model ............................................ C-5C.3 Stage Efficiency................................................................ C-6C.4 Equilibrium Solubility ........................................................ C-8C.5 Phase Enthalpy .............................................................. C-11

C.6 Simulation of Amine Plant Flowsheets ........................... C-11C.7 Program Limitations ....................................................... C-15v

C.8 References..................................................................... C-16

Index..................................................................I-1

viiWelcome to HYSYS

Welcome to HYSYSWe are pleased to present you with the latest version of HYSYS the product that continually extends the bounds of process engineering software. With HYSYS you can create rigorous steady-state and dynamic models for plant design and trouble shooting. Through the completely interactive HYSYS interface, you have the ability to easily manipulate process variables and unit operation topology, as well as the ability to fully customize your simulation using its OLE extensibility capability.

Hyprotech Software SolutionsHYSYS has been developed with Hyprotechs overall vision of the ultimate process simulation solution in mind. The vision has led us to create a product that is:

Integrated Intuitive and interactive Open and extensible

Integrated Simulation EnvironmentIn order to meet the ever-increasing demand of the process industries for rigorous, streamlined software solutions, Hyprotech developed the HYSYS Integrated Simulation Environment. The philosophy underlying our truly integrated simulation environment is conceptualized in the diagram below:

Figure 1vii

Hyprotech Software Solutions

viiiThe central wedge represents the common parameters at the core of the various modelling tools:

model topology interface thermodynamics

The outer ring represents the modelling application needs over the entire plant lifecycle. The arrows depict each Hyprotech product using the common core, allowing for universal data sharing amongst the tools, while providing a complete simulation solution.

As an engineer you undoubtedly have process modelling requirements that are not all handled within a single package. The typical solution is to generate results in one package, then transfer the necessary information into a second package where you can determine the additional information. At best, there is a mechanism for exchanging information through file transfer. At worst, you must enter the information manually, consuming valuable time and risking the introduction of data transfer errors. Often the knowledge you gain in the second application has an impact on the first model, so you must repeat the whole process a number of times in an iterative way.

In a truly integrated simulation environment all of the necessary applications work is performed within a common framework, eliminating the tedious trial-and-error process described previously. Such a system has a number of advantages:

Information is shared, rather than transferred, amongapplications.

All applications use common thermodynamic models. All applications use common flowsheet topology. You only need to learn one interface. You can switch between modelling applications at any time,

gaining the most complete understanding of the process.

The plant lifecycle might begin with building a conceptual model to determine the basic equipment requirements for your process. Based on the conceptual design, you could build a steady-state model and perform an optimization to determine the most desirable operating conditions. Next, you could carry out some sizing and costing calculations for the required equipment, then do some dynamic modelling to determine appropriate control strategies. Once the design has become a reality, you might perform some on-line modelling using actual plant data for "what-if" studies, troubleshooting or even on-line optimization. If a change at any stage in the design process affects the

common data, the new information is available immediately to all the other applications no manual data transfer is ever required.

Welcome to HYSYS ix

ForthelocrepWhile this concept is easy to appreciate, delivering it in a useable manner is difficult. Developing this multi-application, information-sharing software environment is realistically only possible using Object Oriented Design methodologies, implemented with an Object Oriented Programming Language. Throughout the design and development process, we have adhered to these requirements in order to deliver a truly integrated simulation environment as the HYSYS family of products:

HYSYS Product Description

HYSYS.Process

Process Design - HYSYS.Process provides theaccuracy, speed and efficiency required for processdesign activities. The level of detail and theintegrated utilities available in HYSYS.Processallows for skillful evaluation of design alternatives.

HYSYS.Plant

Plant Design - HYSYS.Plant provides an integratedsteady-state and dynamic simulation capability,offers rigorous and high-fidelity results with a veryfine level of equipment geometry and performancedetail. HYSYS.Plant+ provides additional detailedequipment configurations, such as actuatordynamics.

HYSYS.Refinery

Refinery Modeling - HYSYS.Refinery providestruly scalable refinery-wide modeling. Detailedmodels of reaction processes can be combined withdetailed representations of separation and heatintegration systems. Each hydrocarbon stream iscapable of predicting a full range of refineryproperties based on a Refinery Assay matrix.

HYSYS.OTS

Operations Training System - HYSYS.OTSprovides real-time simulated training exercises thattrain operations personnel and help further developtheir skills performing critical process operations.Increased process understanding and proceduralfamiliarity for operations personnel can lead to anincrease in plant safety and improvements inprocess performance.

HYSYS.RTO

Real-Time Optimization - HYSYS.RTO is a real-time optimization package that enables theoptimization of plant efficiency and the managementof production rate changes and upsets in order tohandle process constraints and maximize operatingprofits.

HYSYS.Concept

Conceptual Design Application - HYSYS.Conceptincludes DISTIL which integrates the distillationsynthesis and residue curve map technology ofMayflower with data regression and thermodynamicdatabase access. HYSYS.Concept also includesHX-Net, which provides the ability to use pinchtechnology in the design of heat exchangernetworks. Conceptual design helps enhance processunderstanding and can assist in the development ofnew and economical process schemes.

information on any of se products, contact your al Hyprotech resentative.ix

Hyprotech Software Solutions

x

HYcomsimforCuIntuitive and Interactive Process Modelling

We believe that the role of process simulation is to improve your process understanding so that you can make the best process decisions. Our solution has been, and continues to be, interactive simulation. This solution has not only proven to make the most efficient use of your simulation time, but by building the model interactively with immediate access to results you gain the most complete understanding of your simulation.

HYSYS uses the power of Object Oriented Design, together with an Event-Driven Graphical Environment, to deliver a completely interactive simulation environment where:

calculations begin automatically whenever you supply newinformation, and

access to the information you need is in no way restricted.

At any time, even as calculations are proceeding, you can access information from any location in HYSYS. As new information becomes available, each location is always instantly updated with the most current information, whether specified by you or calculated by HYSYS.

Open and Extensible HYSYS Architecture

The Integrated Simulation Environment and our fully Object Oriented software design has paved the way for HYSYS to be fully OLE compliant, allowing for complete user customization. Through a completely transparent interface, OLE Extensibility lets you:

develop custom steady-state and dynamic unit operations specify proprietary reaction kinetic expressions create specialized property packages.

With seamless integration, new modules appear and perform like standard operations, reaction expressions or property packages within HYSYS. The Automation features within HYSYS expose many of the internal Objects to other OLE compliant software like Microsoft Excel, Microsoft Visual Basic and Visio Corporations Visio. This functionality enables you to use HYSYS applications as calculation engines for your own custom applications.

By using industry standard OLE Automation and Extension the custom simulation functionality is portable across Hyprotech software updates. The open architecture allows you to extend your simulation functionality in response to your changing needs.

SYS is the only mercially available

ulation platform designed complete User stomization.

Welcome to HYSYS xi

ThSudocfamUse of the Manuals

HYSYS Electronic Documentation

All HYSYS documentation is available in electronic format as part of the HYSYS Documentation Suite. The HYSYS Documentation CD-ROM is included with your package and may be found the Get Started box. The content of each manual is described in the following table:

e HYSYS Documentation ite includes all available umentation for the HYSYS ily of products.

Manual Description

Get StartedContains the information needed to install HYSYS,plus a Quick Start example to get you up andrunning, ensure that HYSYS was installed correctlyand is operating properly.

Users GuideProvides in depth information on the HYSYSinterface and architecture. HYSYS Utilities are alsocovered in this manual.

Simulation Basis

Contains all information relating to the availableHYSYS fluid packages and components. Thisincludes information on the Oil Manager,Hypotheticals, Reactions as well as athermodynamics reference section.

Steady StateModeling

Steady state operation of HYSYS unit operations iscovered in depth in this manual.

Dynamic Modeling

This manual contains information on building andrunning HYSYS simulations in Dynamic mode.Dynamic theory, tools, dynamic functioning of theunit operations as well as controls theory arecovered.This manual is only included with the HYSYS.Plantdocument set.

CustomizationGuide

Details the many customization tools available inHYSYS. Information on enhancing the functionalityof HYSYS by either using third-party tools toprogrammatically run HYSYS (Automation), or by theaddition of user-defined Extensions is covered.Other topics include the current internally extensibletools available in HYSYS: the User Unit Operationand User Variables as well as comprehensiveinstruction on using the HYSYS View Editor.

Tutorials Provides step-by-step instructions for building someindustry-specific simulation examples.

Applications

Contains a more advanced set of example problems.Note that before you use this manual, you shouldhave a good working knowledge of HYSYS. TheApplications examples do not provide many of thebasic instructions at the level of detail given in theTutorials manual.

Quick Reference Provides quick access to basic information regardingall common HYSYS features and commands.xi

Use of the Manuals

xii

Coinftra

ForseaAdconwitIf you are new to HYSYS, you may want to begin by completing one or more of the HYSYS tutorials, which give the step-by-step instructions needed to build a simulation case. If you have some HYSYS experience, but would still like to work through some more advanced sample problems, refer to the HYSYS Applications.

Since HYSYS is totally interactive, it provides virtually unlimited flexibility in solving any simulation problem. Keep in mind that the approach used in solving each example problem presented in the HYSYS documentation may only be one of the many possible methods. You should feel free to explore other alternatives.

Viewing the On-Line Documentation

HYSYS On-Line Documentation is viewed using the Adobe Acrobat Reader, which is included on the Documentation CD-ROM. Install Acrobat Reader on your computer following the instructions on the CD-ROM insert card. Once installed, you can view the electronic documentation either directly from the CD-ROM, or you can copy the Doc folder (containing all the electronic documentation files) and the file named main.pdf to your hard drive before viewing the files.

Manoeuvre through the on-line documentation using the bookmarks on the left of the screen, the navigation buttons in the button bar or using the scroll bars on the side of the view. Blue text indicates an active link to the referenced section or view. Click on that text and Acrobat will jump to that particular section.

Attaching the On-line CD Index

One of the advantages in using the HYSYS Documentation CD is the ability to do power searching using the Adobe Acrobat Query tool. By selecting the Query button or selecting Query from the Search submenu of the Tools menu, you can search simultaneously through all the manuals for keywords.

In order to make use of this powerful searching tool, you must attach the index file to Acrobat using the following procedure:

1. To open the Index Selection view you must do one of the following:

Select Indexes from the Search submenu in the Tools menu. Press CTRL SHIFT X

2. Press the Add button. This should open the Add Index view.

ntact Hyprotech for ormation on HYSYS ining courses.

more information on the rch tools available in obe Acrobat Reader, sult the Help files provided h the Reader.

Welcome to HYSYS xiii3. Ensure that the Look in field is currently set to your CD-ROM drive label. There should be two directories visible from the root directory: Acrobat and Doc.

4. Open the Doc directory. Inside it you should find the Index.pdx file. Select it and press the Open button.

5. The Index Selection view should display the HYSYS Documentation Index to be attached. Press the OK button and you may begin making use of the Query tool.

Other Acrobat features include a zoom-in tool in the button bar, which allows you to magnify the text you are reading. If you wish, you may print pages or chapters of the online documentation using the File-Print command under the menu.

Figure 2

Figure 3xiii

Use of the Manuals

xiv

ThsetcanleftConventions used in the Manuals

The following section lists a number of conventions used throughout the documentation.

Keywords for Mouse Actions

As you work through various procedures in the manuals, you will be given instructions on performing specific functions or commands. Instead of repeating certain phrases for mouse instructions, keywords are used to imply a longer instructional phrase:

A number of text formatting conventions are also used throughout the manuals:

Keywords Action

Point Move the mouse pointer to position it over an item.For example, point to an item to see its Tool Tip.

ClickPosition the mouse pointer over the item, and rapidlypress and release the left mouse button. Forexample, click Close button to close the currentwindow.

Right-ClickAs for click, but use the right mouse button. Forexample, right-click an object to display the ObjectInspection menu.

Double-ClickPosition the mouse pointer over the item, thenrapidly press and release the left mouse buttontwice. For example, double-click the HYSYS icon tolaunch the program.

Drag

Position the mouse pointer over the item, press andhold the left mouse button, move the mouse whilethe mouse button is down, and then release themouse button. For example, you drag items in thecurrent window, to move them.

Tool Tip

Whenever you pass the mouse pointer over certainobjects, such as tool bar icons and flowsheetobjects, a Tool Tip will be displayed. It will contain abrief description of the action that will occur if youclick on that button or details relating to the object.

ese are the normal (default) tings for the mouse, but you change the positions of the - and right-buttons.

Format ExampleWhen you are asked to invoke a HYSYS menucommand, the command is identified by boldlettering.

File-Save indicatesopening the File menu andchoosing the Savecommand.

When you are asked to select a HYSYS button,the button is identified by bold, italicizedlettering.

Cancel identifies theCancel button on aparticular view.

Welcome to HYSYS xv

NoaccstreBullets and Numbering

Bulleted and numbered lists will be used extensively throughout the manuals. Numbered lists are used to break down a procedure into steps, for example:

1. Select the Name cell.

2. Type a name for the operation.

3. Press ENTER to accept the name.

Bulleted lists are used to identify alternative steps within a procedure, or for simply listing like objects. A sample procedure that utilizes bullets is:

1. Move to the Name cell by doing one of the following:

Select the Name cell Press ALT N

2. Type a name for the operation.

Press ENTER to accept the name.

Notice the two alternatives for completing Step 1 are indented to indicate their sequence in the overall procedure.

When you are asked to select a key or keys toperform a certain function, keyboardcommands are identified by words in bold andsmall capitals (small caps).

"Select the F1 key."

The name of a HYSYS View (or window) isindicated by bold lettering.

Session Preferences

The name of a Group within a view is identifiedby bold lettering.

Initial Build Home View.

The name of Radio Buttons and Check Boxesare identified by bold lettering.

Ignored

Material and energy stream names areidentified by bold lettering.

Column Feed,CondenserDuty

Unit operation names are identified by boldlettering.

Inlet Separator,Atmospheric Tower

HYSYS unit operation types are identified bybold, uppercase lettering.

HEAT EXCHANGER,SEPARATOR,

When you are asked to provide keyboard input,it will be indicated by bold lettering.

"Type 100 for the streamtemperature."

Format Example

te that blank spaces are eptable in the names of ams and unit operations.xv

Use of the Manuals

xvi

AnouA bulleted list of like objects might describe the various groups on a particular view. For example, the Options page of the Simulation tab on the Session Preferences view has three groups, namely:

General Options Errors Column Options

Callouts

A callout is a label and arrow that describes or identifies an object. An example callout describing a graphic is shown below.

Annotations

Text appearing in the outside margin of the page supplies you with additional or summary information about the adjacent graphic or paragraph. An example is shown to the left.

Shaded Text Boxes

A shaded text box provides you with important information regarding HYSYS' behaviour, or general messages applying to the manual. Examples include:

The use of many of these conventions will become more apparent as you progress through the manuals.

Figure 4

HYSYS Icon

notation text appears in the tside page margin.

The resultant temperature of the mixed streams may be quite different than those of the feed streams, due to mixing effects.

Before proceeding, you should have read the introductory section which precedes the example problems in this manual.

Welcome to HYSYS xviiTechnical SupportThere are several ways in which you can contact Technical Support. If you cannot find the answer to your question in the manuals, we encourage you to visit our Website at www.software.aeat.com, where a variety of information is available to you, including:

answers to frequently asked questions example cases and product information technical papers news bulletins hyperlink to support email.

You can also access Support directly via email. A listing of Technical Support Centres including the Support email address is at the end of this chapter. When contacting us via email, please include in your message:

Your full name, company, phone and fax numbers. The version of HYSYS you are using (shown in the Help, About

HYSYS view). The serial number of your HYSYS security key. A detailed description of the problem (attach a simulation case

if possible).We also have toll free lines that you may use. When you call, please have the same information available. xvii

Technical Support

xviiiTechnical Support CentresCalgary, CanadaAEA Technology Engineering SoftwareHyprotech Ltd.Suite 800, 707 - 8th Avenue SWCalgary, AlbertaT2P 1H5

[email protected] (email)(403) 520-6181 (local - technical support)1-888-757-7836 (toll free - technical support)(403) 520-6601 (fax - technical support)1-800-661-8696 (information and sales)

Barcelona, Spain (Rest of Europe)AEA Technology Engineering SoftwareHyprotech Europe S.L.Pg. de Grcia 56, 4th floorE-08007 Barcelona, Spain

[email protected] (email)+34 93 215 68 84 (technical support)900 161 900 (toll free - technical support - Spain only)+34 93 215 42 56 (fax - technical support)+34 93 215 68 84 (information and sales)

Oxford, UK (UK clients only)AEA Technology Engineering SoftwareHyprotech404 Harwell, DidcotOxfordshire, OX11 0RAUnited Kingdom

[email protected] (email)0800 7317643 (freephone technical support)+44 1235 434351 (fax - technical support)+44 1235 435555 (information andsales)

Kuala Lumpur, MalaysiaAEA Technology Engineering SoftwareHyprotech Ltd., MalaysiaLot E-3-3a, Dataran PalmaJalan Selaman , Jalan Ampang68000 Ampang, SelangorMalaysia

[email protected] (email)+60 3 470 3880 (technical support)+60 3 471 3811 (fax - technical support)+60 3 470 3880 (information and sales)

Yokohama, JapanAEA Technology Engineering SoftwareAEA Hyprotech KKPlus Taria Bldg. 6F.3-1-4, Shin-YokohamaKohoku-kuYokohama, Japan222-0033

[email protected] (email)81 45 476 5051 (technical support)81 45 476 5051 (information and sales)

Welcome to HYSYS xixOfficesCalgary, CanadaTel: (403) 520-6000Fax: (403) 520-6040/60Toll Free: 1-800-661-8696

Yokohama, JapanTel: 81 45 476 5051Fax: 81 45 476 3055

Newark, DE, USATel: (302) 369-0773Fax: (302) 369-0877Toll Free: 1-800-688-3430

Houston, TX, USATel: (713) 339-9600Fax: (713) 339-9601Toll Free: 1-800-475-0011

Oxford, UKTel: +44 1235 435555Fax: +44 1235 434294

Barcelona, SpainTel: +34 93 215 68 84Fax: +34 93 215 42 56

Oudenaarde, BelgiumTel: +32 55 310 299Fax: +32 55 302 030

Dsseldorf, GermanyTel: +49 211 577933 0Fax: +49 211 577933 11

Hovik, NorwayTel: +47 67 10 6464Fax: +47 67 10 6465

Cairo, EgyptTel: +20 2 517 0787Fax: +20 2 352 0289

Kuala Lumpur, MalaysiaTel: +60 3 470 3880Fax: +60 3 470 3811

Seoul, KoreaTel: 82 2 3453 3144 5Fax: 82 2 3453 9772xix

Technical Support

xxAgents

InternetWebsite: www.software.aeat.com

Email: [email protected]

International Innotech, Inc.Katy, USA

Tel: (281) 492-2774Fax: (281) 492-8144

International Innotech, Inc.Beijing, China

Tel: 86 10 6499 3956Fax: 86 10 6499 3957

International InnotechTaipei, Taiwan

Tel: 886 2 809 6704Fax: 886 2 809 3095

KBTECH Ltda.Bogota, Colombia

Tel: 57 1 258 44 50Fax: 57 1 258 44 50

KLG SystelNew Delhi, India

Tel: 91 124 346962Fax: 91 124 346355

Logichem ProcessJohannesburg, South Africa

Tel: 27 11 465 3800Fax: 27 11 465 4548

Process Solutions Pty. Ltd.Peregian, Australia

Tel: 61 7 544 81 355Fax: 61 7 544 81 644

Protech EngineeringBratislava, Slovak Republic

Tel: +421 7 4488 8286Fax: +421 7 4488 8286

PT. Danan Wingus SaktiJakarta, Indonesia

Tel: 62 21 567 4573 75/62 21 567 450810Fax: 62 21 567 4507/62 21 568 3081

Ranchero Services (Thailand)Co. Ltd.Bangkok, Thailand

Tel: 66 2 381 1020Fax: 66 2 381 1209

S.C. Chempetrol Service srlBucharest, Romania

Tel: +401 330 0125Fax: +401 311 3463

Soteica De MexicoMexico D.F., Mexico

Tel: 52 5 546 5440Fax: 52 5 535 6610

Soteica Do BrasilSao Paulo, Brazil

Tel: 55 11 533 2381Fax: 55 11 556 10746

Soteica S.R.L.Buenos Aires, Argentina

Tel: 54 11 4555 5703Fax: 54 11 4551 0751

Soteiven C.A.Caracas, Venezuela

Tel: 58 2 264 1873Fax: 58 2 265 9509

ZAO TechneftechimMoscow, Russia

Tel: +7 095 202 4370Fax: +7 095 202 4370

xxi

HYSYS Hot KeysFileCreate New Case CTRL+NOpen Case CTRL+OSave Current Case CTRL+SSave As... CTRL+SHIFT+SClose Current Case CTRL+ZExit HYSYS ALT+F4 SimulationGo to Basis Manager CTRL+B Leave Current Environment (Return to Previous)

CTRL+L

Main Properties CTRL+MAccess Optimizer F5Toggle Steady-State/Dynamic Modes

F7

Toggle Hold/Go Calculations F8Access Integrator CTRL+IStart/Stop Integrator F9Stop Calculations CTRL+BREAKFlowsheetAdd Material Stream F11Add Operation F12Access Object Navigator F3 Show/Hide Object Palette F4Composition View (from Workbook)

CTRL+K

ToolsAccess Workbooks CTRL+WAccess PFDs CTRL+PToggle Move/Attach (PFD) CTRLAccess Utilities CTRL+UAccess Reports CTRL+RAccess DataBook CTRL+DAccess Controller FacePlates CTRL+FAccess Help F1ColumnGo to Column Runner (SubFlowsheet)

CTRL+T

Stop Column Solver CTRL+BREAKWindowClose Active Window CTRL+F4Tile Windows SHIFT+F4Go to Next Window CTRL+F6 or CTRL+TABGo to Previous Window CTRL+SHIFT+F6 orEditing/General CTRL+SHIFT+TABAccess Edit Bar F2Access Pull-Down Menus F10 or ALTGo to Next Page Tab CTRL+SHIFT+NGo to Previous Page Tab CTRL+SHIFT+PCut CTRL+XCopy CTRL+CPaste CTRL+Vxxi

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HYSYS Thermodynamics xxiiiHYSYS Thermodynamics

To comprehend why HYSYS is such a powerful engineering simulation tool, you need look no further than its strong thermodynamic foundation. The inherent flexibility contributed through its design, combined with the unparalleled accuracy and robustness provided by its property package calculations leads to the representation of a more realistic model. Not only can you use a wide variety of internal property packages, you can use tabular capabilities to override specific property calculations for more accuracy over a narrow range or use the functionality provided through ActiveX to interact with externally constructed property packages.

The built-in property packages provide accurate thermodynamic, physical and transport property predictions for hydrocarbon, non-hydrocarbon, petrochemical and chemical fluids. The Thermodynamics development group at Hyprotech has evaluated experimental data from the worlds most respected sources. Using this experimental data, a database which contains in excess of 1500 components and over 16000 fitted binaries has been created. If a library component cannot be found within the database, a comprehensive selection of estimation methods is available for creating fully defined hypothetical components.

HYSYS also contains a powerful regression package that may be used in conjunction with its tabular capabilities. Experimental pure component data, which HYSYS provides for over 1000 components, can be used as input to the regression package. Alternatively, you can supplement the existing data or supply a complete set of your own data. The regression package will fit the input data to one of the numerous mathematical expressions available in HYSYS. This will allow you to obtain simulation results for specific thermophysical properties that closely match your experimental data.

As new technology has become available to the market place, Hyprotech has welcomed the changes. HYSYS was designed with the foresight that software technology is ever-changing and that a software product must reflect these changes. Through the use of Extensibility, you can extend HYSYS such that it will use property packages that you have created, within the HYSYS environment.xxiii

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You to re-enter the sis Environment from any

ironment.

YSYS is left in HOLDING de, calculations can be ivated by pressing the ver Active button in the tton Bar.

HYSYS Thermodynamics xxv

ThEnacconMacolumn specifications) to the Flowsheet prior to the Basis modifications taking effect.

The Simulation Basis Manager is a property view that allows you to create and manipulate fluid packages in the simulation. Whenever you create a New Case, HYSYS opens the Simulation Basis Manager view.

There are five tabs available on the Simulation Basis Manager view:

e Enter Simulation vironment button can be essed from any of the tabs

the Simulation Basis nager view.

Tab Description

Fluid Pkgs

The Fluid Pkgs tab allows you to create andmanipulate all Fluid Packages for the simulationcase. Also, you can assign a Fluid Package to eachFlowsheet that exists within the case and select aDefault Fluid Package, which is automatically usedfor all new Flowsheets.

HypotheticalsThe Hypothetical tab allows individualHypotheticals and Hypothetical Groups to be definedfor installation into any Fluid Package.xxv

-xxvi

xxvi

In tdevSimtabOil ManagerThe Oil Manager tab allows access to the OilEnvironment where you can input assay data, cut/blend an oil and define pseudo components forinstallation in any existing Fluid Package.

ReactionsThe Reactions tab allows you to install reactioncomponents, create reactions, create reaction sets,attach reactions to reaction sets and attach reactionsets to any existing Fluid Package.

Component MapsThe Component Maps tab allows you to specifycomposition across Fluid Package (sub-flowsheet)boundaries.

User Property Create and make user properties available to anyfluid package.

Tab Description

his book, one chapter is oted to each of the ulation Basis Manager

s.

Fluid Package 1-1

1 Fluid Package

1.1 Introduction .................................................................................................. 3

1.2 Fluid Packages Tab ...................................................................................... 4

1.3 Adding a Fluid Package - Quick Start......................................................... 5

1.4 Fluid Package Property View ...................................................................... 61.4.1 Property Package Tab.............................................................................. 71.4.2 Components Tab.................................................................................... 151.4.3 Parameters Tab...................................................................................... 271.4.4 Binary Coefficients Tab .......................................................................... 371.4.5 Stability Test Tab .................................................................................... 451.4.6 Reactions Tab ........................................................................................ 491.4.7 Tabular Tab............................................................................................. 501.4.8 Supplying Tabular Data .......................................................................... 631.4.9 Notes Tab............................................................................................... 711-1

1-2

1-2

Fluid Package 1-31.1 IntroductionIn HYSYS, all necessary information pertaining to pure component flash and physical property calculations is contained within the Fluid Package. This approach allows you to define all the required information inside a single entity. There are four 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 exported and imported as completelydefined packages for use in any simulation.

Fluid Packages can be cloned, which simplifies the task ofmaking small changes to a complex Fluid Package.

Multiple Fluid Packages can be used in the same simulation;however, they are all defined inside the common SimulationBasis Manager.

In this chapter, all information concerning the Fluid Package will be covered. A description will be given for the Fluid Pkgs tab of the Simulation Basis Manager view. The basic procedure for creating a Fluid Package will also be outlined. Finally, details for each tab of the Fluid Package property view will be provided, which includes:

Property Package Components Parameters Binary Coefficients Stability Test Reactions Tabular Notes1-3

1-4 Fluid Packages Tab

1-4

YouPaMa

Whonbu

RefPadetyouVie

Forimfun4.6WoGu1.2 Fluid Packages TabThe first tab of the Simulation Basis Manager view is the Fluid Packages (Fluid Pkgs) tab. When you create a New Case, HYSYS displays the Fluid Pkgs tab, as shown below:

In the Current Fluid Packages group, there are six buttons that allow you to organize all Fluid Packages for the current case:

The Flowsheet - Fluid Pkg Associations group lists each Flowsheet in the current simulation along with its associated Fluid Package. You can change the associations between Flowsheets and Fluid Packages in this

Figure 1.1

Button Description

ViewThis is only active when a Fluid Package exists in thecase. It allows you to view the property view for theselected Fluid Package.

Add Allows you to install a new Fluid Package into the case.

DeleteAllows you to delete a Fluid Package from the case.When you delete a Fluid Package, HYSYS displays awarning, and asks you to verify that you want to delete thepackage.

CopyMakes a copy of the selected fluid package. Everything isidentical in this copied version, except the name. This is auseful tool for modifying fluid packages.

Import Allows you to import a pre-defined Fluid Package fromdisk. Fluid Packages have the file extension .fpk.

ExportAllows you to export the selected Fluid Package (*.fpk) todisk. The exported Fluid Package can be retrieved intoanother case, by using its Import function.

must define a Fluid ckage prior to entering the in Build Environment.

en a New Case is created, ly the Add and Import ttons are available.

er to Section 1.4 - Fluid ckage Property View for ails on what information can edit by pressing the w button.

details concerning the porting and exporting ctionality, refer to Section - Exporting/Importing rkbook Tabs of the User ide.

Fluid Package 1-5

A cpaproSecProlocation. You can also specify which Fluid Package will act as the Default Fluid Package by making a selection in Default Fluid Pkg drop down. HYSYS automatically assigns the Default Fluid Package to each new SubFlowsheet created in the simulation.

1.3 Adding a Fluid Package - Quick Start

When you press the Add button from the Simulation Basis Manager view, HYSYS opens the Fluid Package property view to the Prop Pkg tab.

The order of the tabs in the Fluid Package property view are tied to the sequence of defining a Fluid Package in HYSYS:

On the Prop Pkg tab, select a Property Package for the casefrom the Base Property Package Selection group. You canfilter the list of Property Packages by selecting a radio button inthe Property Pkg Filter group.

Depending on the Property Package chosen, you may need tospecify additional information, such as the Enthalpy andVapour Model, Poynting Correction factor, etc.

From the Components tab, you can add library andhypothetical components to the Fluid Package. Select thecomponents for the case.

Depending on the Property Package chosen you may need tosupply additional information based on the selectedcomponents. This is done on the Parameters tab.

Figure 1.2

omplete description of each ge of the Fluid Package perty view is given in tion 1.4 - Fluid Package perty View.1-5

1-6 Fluid Package Property View

1-6

RefforRea Move to the Binary Coeffs tab and if necessary, specify thebinary coefficients. As an alternative to supplying binaries, youmay wish to have estimates made for the chosen components.

If necessary, instruct HYSYS how to perform Phase Stabilitytests as part of the flash calculations on the Stab Test tab.

Define any reactions and reaction sets for the fluid package oraccess the Reaction Manager on the Rxns tab.

On the Tabular tab, you can access the Tabular Package forthe equation based representation of targeted properties.

The final tab of the Fluid Package property view is the Notestab, on which you can supply descriptive notes regarding thenew Fluid Package.

1.4 Fluid Package Property View

The Fluid Package property view consists of eight tabs. Among these tabs is all the information pertaining to the particular Fluid Package. At the bottom of the Fluid Package property view, there are three items that are displayed regardless of which tab is currently shown.

er to Chapter 4 - Reactions information on the ction Manager.

Figure 1.3

Removes the Fluid Package fromthe case. You must confirm that youwish to delete the Fluid Package

You can input a namefor the Fluid Packagein this cell.

The selected baseProperty Package type isshown in this status bar.

Additional information may be displayed in this spacedepending on the Property Package selection.

Fluid Package 1-71.4.1 Property Package TabThe Property Package (Prop Pkg) tab is the first tab of the Fluid Package property view. When you create a new Fluid Package, a view, as shown in Figure 1.4, will appear. The Prop Pkg tab contains two groups which are visible at all times: Base Property Package Selection and Component Selection Control. Once a Property Package is selected, additional information and options may be displayed to the right of the Base Property Package Selection group. The information that is displayed is dependent on the selected Property Package.

The following sections will provide an overview of the various Property Packages, as well as details on the various groups that appear on the Prop Pkg tab.

Base Property Selection

In the Base Property Selection group, you have access to the list of all the Property Methods available in HYSYS and to the Property Pkg Filter group.

The Property Pkg Filter allows you to filter the list of available property methods, based on the following criteria:

For more detailed information about the Property Packages available in HYSYS, refer to Appendix A- Property Methods and Calculations.

Filter DescriptionAll All the Property Packages appear in the list.EOSs Only Equations of State appear in the list.Activity Models Only Liquid Activity Models appear in the list.Chao SeaderModels

Only Chao Seader based Semi Empirical methodsare displayed.

Vapour PressureModels

Vapour pressure K-value models are shown in thelist.

MiscellaneousTypes

Models that do not fit into any of the above 4categories (i.e. excluding All) are displayed.1-7


1-8Equations of State

For oil, gas and petrochemical applications, the Peng Robinson Equation of State is generally the recommended property package. Hyprotech's enhancements to this equation of state enable it to be accurate for a variety of systems over a wide range of conditions. It rigorously solves most single phase, two phase and three-phase systems with a high degree of efficiency and reliability.

All equation of state methods and their specific applications are described below:

Activity Models

Although Equation of State models have proven to be very reliable in predicting the properties of most hydrocarbon based fluids over a wide

EOS Description

GCEOSThis model allows you to define and implement your owngeneralized cubic equation of state including mixing rulesand volume translation.

Kabadi DannerThis model is a modification of the original SRK equationof state, enhanced to improve the vapour-liquid-liquidequilibria calculations for water-hydrocarbon systems,particularly in dilute regions.

Lee-KeslerPlocker

This model is the most accurate general method for non-polar substances and mixtures.

Peng Robinson

This model is ideal for VLE calculations as well ascalculating liquid densities for hydrocarbon systems.Several enhancements to the original PR model havebeen made to extend its range of applicability and toimprove its predictions for some non-ideal systems.However, in situations where highly non-ideal systemsare encountered, the use of Activity Models isrecommended.

PRSVThis is a two-fold modification of the PR equation of statethat extends the application of the original PR method formoderately non-ideal systems.

SRKIn many cases it provides comparable results to PR, butits range of application is significantly more limited. Thismethod is not as reliable for non-ideal systems.

Sour PR Combines the PR equation of state and Wilson's API-Sour Model for handling sour water systems.

Sour SRK Combines the Soave Redlich Kwong and Wilson's API-Sour Model.

ZudkevitchJoffee

Modification of the Redlich Kwong equation of state. Thismodel has been enhanced for better prediction of vapourliquid equilibria for hydrocarbon systems, and systemscontaining Hydrogen.

Fluid Package 1-9range of operating conditions, their application has been limited to primarily non-polar or slightly polar components. Highly non-ideal systems are best modelled using Activity Models.

The following Activity Model Property Packages are available:

Activity Model Description

Chien NullProvides a consistent framework for applying existingActivity Models on a binary by binary basis. It allows youto select the best Activity Model for each pair in your case.

Extended NRTL

This variation of the NRTL model allows you to inputvalues for the Aij, Bij, Cij, Alp1ij and Alp2ij parameters usedin defining the component activity coefficients. Apply thismodel to systems:

with a wide boiling point range between components. where you require simultaneous solution of VLE andLLE, and there exists a wide boiling point range orconcentration range between components.

General NRTL

This variation of the NRTL model allows you to select theequation format for equation parameters: and . Applythis model to systems:

with a wide boiling point range between components. where you require simultaneous solution of VLE andLLE, and there exists a wide boiling point orconcentration range between components.

MargulesThis was the first Gibbs excess energy representationdeveloped. The equation does not have any theoreticalbasis, but is useful for quick estimates and datainterpolation.

NRTLThis is an extension of the Wilson equation. It usesstatistical mechanics and the liquid cell theory torepresent the liquid structure. It is capable of representingVLE, LLE, and VLLE phase behaviour.

UNIQUAC

Uses statistical mechanics and the quasi-chemical theoryof Guggenheim to represent the liquid structure. Theequation is capable of representing LLE, VLE, and VLLEwith accuracy comparable to the NRTL equation, butwithout the need for a non-randomness factor.

van Laar

This equation fits many systems quite well, particularly forLLE component distributions. It can be used for systemsthat exhibit positive or negative deviations from Raoult'sLaw, however, it cannot predict maxima or minima in theactivity coefficient. Therefore it generally performs poorlyfor systems with halogenated hydrocarbons and alcohols.

Wilson

First activity coefficient equation to use the localcomposition model to derive the Gibbs Excess energyexpression. It offers a thermodynamically consistentapproach to predicting multi-component behaviour fromregressed binary equilibrium data. However the Wilsonmodel cannot be used for systems with two liquid phases.1-9


1-10Chao Seader Models

The Chao Seader and Grayson Streed methods are older, semi-empirical methods. The Grayson Streed correlation is an extension of the Chao Seader method with special emphasis on hydrogen. Only the equilibrium data produced by these correlations is used by HYSYS. The Lee-Kesler method is used for liquid and vapour enthalpies and entropies.

Vapour Pressure Models

Vapour Pressure K-value models may be used for ideal mixtures at low pressures. Ideal mixtures include hydrocarbon systems and mixtures such as ketones and alcohols, where the liquid phase behaviour is approximately ideal. The models may also be used as first approximations for non-ideal systems:

Chao SeaderModel Description

Chao SeaderUse this method for heavy hydrocarbons, where thepressure is less than 10342 kPa (1500 psia), andtemperatures range between -17.78 and 260 C (0-500 F).

Grayson Streed Recommended for simulating heavy hydrocarbon systemswith a high hydrogen content.

Vapour PressureModels Description

Antoine This model is applicable for low pressure systems thatbehave ideally.

Braun K10

This model is strictly applicable to heavy hydrocarbonsystems at low pressures. The model employs the Braunconvergence pressure method, where, given the normalboiling point of a component, the K-value is calculated atsystem temperature and 10 psia (68.95 kPa).

Esso TabularThis model is strictly applicable to hydrocarbon systems atlow pressures. The model employs a modification of theMaxwell-Bonnel vapour pressure model.

Fluid Package 1-11

AmProyouformopacAmMiscellaneous

The Miscellaneous group contains Property Packages that are unique and do not fit into the groups previously mentioned.

Component Selection Control

This group contains two radio buttons which deal with component selection. HYSYS manipulates the component list on the Components tab according to the radio button selection:

PropertyPackage Description

Amine PkgContains thermodynamic models developed by D.B.Robinson & Associates for their proprietary amine plantsimulator, AMSIM. You can use this property package foramine plant simulations with HYSYS.

ASME Steam Restricted to a single component, namely H2O. Uses theASME 1967 Steam Tables.

NBS Steam Restricted to a single component, namely H2O. Utilizes theNBS 1984 Steam Tables.

MBWRThis is a modified version of the original Benedict/Webb/Rubin equation. This 32-term equation of state model isapplicable for only a specific set of components andoperating conditions.

Filter DescriptionOnly PropertyPackageCompatibleComponents

When this option is chosen, HYSYS will only display (in thecomponent list) components that are compatible with thechosen property package.

Full PureComponentLibrary

This option will display all the components in the HYSYSlibrary regardless of the property package chosen. On theComponents tab, an x will be shown beside eachcomponent that HYSYS does not recommend for thechosen property package.

ines is an optional perty Package. Contact r Hyprotech representative

further information. For re information on the kage see Appendix C- ines Property Package.

HYSYS does not provide a warning when you add non-recommended components to a property package. However, you can check to see if any of your components are not recommended. Simply select a new property package and then return to the property package which you were originally using. If any of the components are not recommended for use with the property package, the Components Not Recommended for Property Package dialog will appear (see the Warning Messages section).1-11


1-12Warning Messages

There are two different warning dialogs which you may encounter while making manipulations to a Fluid Package. These situations will arise when components have been installed into the Fluid Package and you wish to select a new property package. The selected components may either be not recommended or incompatible with the new property package selection.

The first dialog involves the use of Non-Recommended components. In HYSYS, you can select components that are not recommended for use with the current property package. If you try to switch to another property package for which the components are not recommended, the following dialog will appear:

Figure 1.4

Object DescriptionNotRecommended

The non-recommended components are listed in thisgroup.

Desired PropPkg

This field initially displays the Property Package for whichthe listed components are Not Recommended.This field is also a drop down list of all available PropertyPackages so you may make an alternate selection withoutreturning to the Fluid Package property view.

Action

This group box contains 2 radio buttons: Delete Components - This option removes incompatiblecomponents from the Fluid Package.

Keep Components - This option keeps the components inthe Fluid Package.

OK Accepts the Desired Prop Pkg with the appropriateAction.Cancel Return to the Prop Pkg tab without making changes.

Fluid Package 1-13The second dialog involves the use of Incompatible components. If you try to switch to a property package for which the components are incompatible, the following dialog will appear:

Additional Property Package Options

When you have selected a Property Package, additional information and options may be displayed on the right side of the Prop Pkg tab. This information is directly related to the Property Package Type selected.

In this section, the additional information which appears with the property method selection will be discussed. The two groups which you will encounter are the EOS Enthalpy Method Specification and the Activity Model Specification groups.

Figure 1.5

Object DescriptionIncompatibleComponents

The incompatible components are listed in this group.

Desired PropPkg

This field initially displays the Property Package for whichthe listed components are Incompatible.This field is also a drop down list of all available PropertyPackages so you may make an alternate selection withoutreturning to the Fluid Package property view.

OK This button accepts the Desired Prop Pkg with theappropriate Action (i.e. delete the incompatiblecomponents).

Cancel Press this button to keep the current Property Package1-13


1-14

LeesligheabutresmoEOS Enthalpy Method Specification

The Lee-Kesler Plocker (LKP) and Zudkevitch Joffee (ZJ) Property Packages both use the Lee-Kesler enthalpy method. You cannot change the enthalpy method for either of these Equations of State (i.e. Figure 1.6 will not appear).

With any other Equation of State, you have a choice for the enthalpy method. The same choices are also available for the Amine Property Package.

The enthalpy method choices are:

Activity Model Specifications

The Activity Model Specification group appears for each activity model. There are three specification items within this group.

Activity Models only perform calculations for the liquid phase, thus, you are required to specify the method to be used for solving the vapour phase. The first input in the Activity Model Specifications group allows for the selection of a Vapour Model.

Figure 1.6

EnthalpyMethod Description

Equation ofState

With this radio button selection, the enthalpy methodcontained within the Equation of State is used.

Lee-Kesler

The Lee-Kesler method is used for the calculation ofenthalpies. This option results in a combined PropertyPackage, employing the appropriate equation of state forvapour-liquid equilibrium calculations and the Lee-Keslerequation for the calculation of enthalpies and entropies.This method yields comparable results to HYSYS'standard equations of state and has identical ranges ofapplicability.

-Kesler enthalpies may be htly more accurate for vy hydrocarbon systems, require more computer

ources because a separate del must be solved.

Figure 1.7

Fluid Package 1-15The vapour phase model choices are accessed via the drop down list in the Edit Bar:

The second input in the Activity Model Specifications group is the UNIFAC Estimation Temp. This is the temperature that will be used for estimating interaction parameters using the UNIFAC method. The default value is 25 C, but by selecting a temperature which is closer to your anticipated operating conditions, better results should occur.

The third input in this group is a check box for Poynting Correction. This check box toggles the Poynting correction factor, which by default, is activated. The correction factor is only available for Vapour Phase models other than Ideal Gas. The correction factor uses each component's molar volume (liquid phase) in the calculation of the overall compressibility factor.

1.4.2 Components TabThe Components tab in HYSYS has been designed to simplify adding components to a case. Access is provided to all Library components within HYSYS and to defined Hypotheticals. On this tab, you can add components as well as view their properties. The Components tab is sectioned into the Current Component List group and the Components Available From The Pure Component Library group. Components are selected in the Available section and moved to the Current Component List.

Vapour PhaseModels Description

Ideal The HYSYS default. It applies for cases in which you areoperating at low or moderate pressures.

RKThe generalized Redlich Kwong cubic equation of state. Itis based on reduced temperature and reduced pressure,and is generally applicable to all gases.

Virial

Enables you to better model the vapour phase fugacitiesof systems that display strong vapour phase interactions.Typically this occurs in systems containing carboxylicacids, or other compounds that have the tendency to formstable hydrogen bonds in the vapour phase.

PRUses the Peng Robinson EOS to model the vapourphase. Use this option for all situations to which PR isapplicable.

SRKUses the Soave Redlich Kwong EOS to model the vapourphase. Use this option for all situations to which SRK isapplicable.1-15


1-16The display of the Components tab will vary according to the radio button selection in the Add Comps group. A different view will appear depending on whether you are adding Library or Hypothetical components.

Adding Library Components

The view shown previously is the one which you will encounter when you are adding Library components to the Fluid Package. The Library radio button must be selected in the Add Comps group.

There are two main groups within this view:

Current Component List Group

Within the Current Components List group, there are various functions which allow you to manipulate the list of selected components for the Fluid Package.

Figure 1.8

Fluid Package 1-17Figure 1.9

When substituting components, HYSYS replaces the component throughout the case (i.e. all specifications for the old component are transferred to the new component). However, the substitution function does not automatically handle components which are part of a Reaction.

Object DescriptionCurrentComponentList

Contains all the currently installed components.

View Comp Accesses the selected components property view.

Library/Hypothetical

The selection of one of these radio button determines thetype of components which will be displayed in theComponents/Hypotheticals Available group.

Add PureAdds the highlighted component(s) from theComponents Available group to the CurrentComponent List.

Substitute Swaps the highlighted current components with thehighlighted available component.

Remove Comp Deletes the highlighted component from the CurrentComponent List.

Sort List Accesses the Move Components dialog, from which youcan re-order the current component list.1-17


1-18Components Available From The Pure Component Library Group

Within the Components Available From The Pure Component Library group, there are several features designed to make the selection of components as efficient and convenient as possible.

Figure 1.10

Object Description

AvailableComponent List

Contains all components available in HYSYS. (AnX denotes components that are not compatible withselected Property Package.)

MatchAs you type in this cell, HYSYS filters the componentlist in order to locate the component that bestmatches your current input.

Use FilterThis check box when activated uses the selections inthe Family Filter view to reduce the list ofcomponents.

Family Filter This check box activates the Family Filter viewwhich filters the component list by chemical group.

SimName\ FullName(Synonym)\ Formula

These three radio buttons determine the context ofyour input in the Match cell.

Show Synonyms When this check box is activated HYSYS includesknown synonyms for each component in the list.

Cluster

This check box is available only when the ShowSynonyms check box is activated. By activating theCluster check box, all synonyms are indented andlisted below the component name. Otherwise, thesynonyms appear alphabetically throughout the list.

Only Library components that are recommended for the current property package are displayed, unless the Full Pure Component Library radio button is selected on the Prop Pkg tab.

Fluid Package 1-19

WhhigLisbuCoFamily Filter

The Family Filter is a feature in HYSYS that filters the list of available components to only those belonging to a specific family. The Use Filter check box, located on the Components tab of the Fluid Package property view, toggles the Filter option On and Off.

The Family Filter, which is accessed via the Family Filter button, is a floating list. By default, all check boxes in the Family Filter are deactivated. You can identify which families should be included in the list of available components by selecting the desired check box(es). The All button activates all check boxes, and the Invert button toggles the status of each check box individually. For instance, if you had activated all of the check boxes, and then wanted to quickly deactivate them, you could simply press the Invert button. If you only had the Hydrocarbons and the Solids options activated and you pressed the Invert button, these two options would become deactivated and the remaining options activated.

Selecting Library Components

As mentioned previously, library components are selected from the Components Available From The Pure Component Library group, and placed in the Current Component List group. There are many ways in which you can select components for a Fluid Package. Once you become familiar with the different available methods for component selection, you will be able to choose the procedure which you find most convenient.

Figure 1.11

enever a component(s) is hlighted in the Available t, selecting the Add Pure tton moves it to the Current mponent List.1-19


1-20The process of adding components from the component library to the Current Component List can be divided into three sub-processes. By visualizing the process of component selection in this way, you will be made aware of all the available possibilities offered by HYSYS. You can then adopt the most logical and efficient approach to use each time you build a case.

For component addition to the Fluid Package, you should do the following:

1. Filter the library list.

2. Select the desired component(s).

3. Transfer the component(s) to the Current Component List.

Filtering the Component List

A recommended practice for component selection is the use of the available tools which HYSYS provides for filtering the component library. This will narrow the selection range and allow you to apply one of the various methods for transferring the selection(s) to the Current Component List.

There are four available tools which will filter the list in the Components Available From The Pure Component Library group:

The filtering tools can be used independently or in combination.

By using the Match input cell, you can access any component within the HYSYS library that is accessible under the currently selected Property Package. You can make the Match field active by selecting it or by using the ALT M hot key.

Filtering Tool Description

Family FilterFilters the list according to your selection of componentfamilies. (Refer to the subsection, ComponentsAvailable From The Pure Component Library Groupfor details.)

ShowSynonyms

Component synonyms appear alphabetically throughoutthe list when this check box is activated.

Cluster

The Cluster check box is available only when the ShowSynonyms check box is activated and Match input fieldis empty. By activating the Cluster check box, allsynonyms are indented and listed below the componentname.

Match This input cell allows type-matching of the componentsimulation name, full name, synonym or formula.

Fluid Package 1-21

RemintlistwhtyptypforviscomThe Match input cell accepts keyboard input, and is used by HYSYS to locate the component in the current list which best matches your input. The first character of the filtered component names must agree with first character of the listed component name. Subsequent characters in the Match cell must appear somewhere in each listed component name. As well, the order of the input characters must be honoured. Other than the first character, any number of unmatched characters can appear within the names of the listed components.

When trying to Match a component, HYSYS searches the component column in the list for whichever radio button is selected:

Suppose the component you want to add is Water. Begin by typing H2 in the Match cell.

HYSYS filters the list of Available Components to only those that match your current input string. The first component in the list, H2, is an exact match of your current input and therefore, is highlighted. Notice that H2O is available in the list even though you have entered only H2.

Radio Button Description

SimName This option matches the text entered into the Match inputto the name used within the simulation.FullName/Synonym

This option may match the components full name or asynonym of the SimName. It is typically a longer name.

Formula Use this option when you are not sure of the library name,but know the formula of the component.

Figure 1.12

ember, as you are typing o the Match cell, HYSYS s the components matching at you have presently ed. You may not have to e the complete name or mula before it becomes ible in the filtered

ponent list.1-21


1-22

MumaCo1.1HYonSince Hydrogen is not the component of choice, you can continue to reduce the list of available library component options by typing in the character O after the H2 in the Match cell.

Selecting the Component(s)

Once the list of Library Components has been filtered, you should be able to see the desired component among the displayed components. You can now use one of the methods available to highlight the component(s) of choice:

Whenever the list of components is filtered, the highlight is placed on the first component in the reduced list. If you use the keyboard commands to access the list of components, you may have to move the highlight if the first component is not the desired one.

To move through the Components Available From The Pure Component Library group, use one of the following methods:

Transferring the Component(s)

Once the Library Component list has been filtered and the desired component(s) highlighted, you can transfer the selection(s) to the Current Component List. Use one of the following methods:

Press the Add Pure button. Press the ENTER key.

SelectionMethod Description

Mouse Place the cursor over the desired component and pressthe primary mouse button.

Keyboard Use the TAB key or SHIFT TAB combination to move theactive location into the list of components.

ltiple selections can be de from the list of Library

mponents. Refer to Section .9 - Selecting Items of the SYS User Guide for details

the technique.

Method Description

Arrow Keys Move the highlight up or down one line in the componentlist.PAGE UP/PAGEDOWN

Use these keyboard keys to move through the list anentire page at a time.

HOME/END The HOME key moves to the start of the list and the ENDkey moves to the end of the list.

Scroll Bar With the mouse, use the scroll bar to move up and downthrough the list.

Fluid Package 1-23

RefHyHy

Youcomthohigcomonhig Double click with the primary mouse button on the highlighteditem. This option works only for a single component selection.

Manipulating the Current Component List

Once you have added components to the Current Component List, there are a few things you can do to the components in the list. This includes removing, replacing, sorting and viewing components.

To demonstrate the manipulation functions, the Current Component List group shown below will be used for reference purposes.

Removing Selected Components

You can remove any component(s) from the Current Component List.

1. Highlight the component(s) you wish to delete.

2. Press the Remove button, or use the DELETE key.

For Library components, HYSYS removes the component(s) from the Current Component List and places it in its appropriate spot in the Available Component list. Since Hypothetical components are shared among Fluid Packages, there is no actual transfer between the lists. (i.e. The Hypo always appears in the Available group, even when it is listed in the Current Component List.)

Substituting Components

When substituting components, HYSYS replaces the component throughout the case (i.e. all specifications for the old component are transferred to the new component). However, the substitution function does not automatically handle components which are part of a Reaction.

Figure 1.13

er to Chapter 2 - potheticals for details on pothetical components.

can only substitute one ponent at a time. Even

ugh HYSYS allows you to hlight multiple

ponents, the substitution ly involves the first hlighted component.1-23


1-24You can substitute a component in the Current Component List with one in the Available Component list by using the following procedure:

1. From the Current Component List highlight the component you want to remove.

2. In the Available Component list, highlight the component to substitute.

3. Press the Substitute button.

4. The removed component is returned to the Available Component list and the substituted component is placed in the Current Component List.

Sorting a Component List

When there are components in the Current Component List group you can use the Sort List button to rearrange the component order.

We will use the view shown in Figure 1.14 to illustrate the sorting procedure:

1. Press the Sort List button. The Move Components dialog appears.

2. From the Component(s) to Move group, select the component you want to move. In this example, we have selected Methane.

3. From the Insert Before group, highlight the component before which Methane will move. In this case, Propane has been highlighted.

Figure 1.14

Fluid Package 1-25

Youmu

YouvieCudoucom

RefHyProthepro4. Press the Move button to complete the move. Methane will be inserted before Propane in the Component List. Thus, Ethane is forced to the top of the list, followed by Methane, Propane, and n-Butane.

5. When you have completed the sorting, press the Close button to return to the Components tab.

Viewing Components

Once a component is added to the Current Component List, the View Comp button becomes active. The View Comp button accesses the Pure Component property view for a selected component.

For example, selecting Methane and pressing the View Comp button will open the following property view:

Adding Hypothetical Components

Hypotheticals can be added to a Fluid Package via the Components tab. In the Add Comps group, select the Hypothetical radio button. The Components tab is redrawn with information appropriate to the addition of Hypotheticals:

Figure 1.15

can highlight and move ltiple components.

can examine the property w for any component in the rrent Component List by ble clicking on the ponent.

er to Section 2.5 - pothetical Component perty View for details on various Component perty view tabs.1-25


1-26Some of the features on the Components tab are common to both the selection of Hypotheticals and Library components.

Figure 1.16

Object Description

Add GroupAdds all the Hypothetical components in the currentselection in the Hypo Group list box current to the currentcomponent list.

Add Hypo Adds the currently selected Hypothetical in the HypoComponent list box to the Current Component List.

Hypo Group Displays all the Hypo Groups available to the FluidPackage.HypoComponents

Displays all the Hypothetical components contained in thecurrently selected Hypo Group.

Quick Accessto Hypo Mgr

Accesses the Hypotheticals tab of the Simulation BasisManager, from which you can create, view or editHypotheticals.

Quick Create AHypo Comp

A short-cut for creating a regular Hypothetical componentand adds it to the currently selected Hypo Group andopens its property view.

Quick Create ASolid Hypo

A short-cut for creating a solid Hypothetical componentand adds it to the currently selected Hypo Group andopens its property view.

While you can add Hypos to a Fluid Package from the Components tab, this is merely a short-cut. To access all features during the creation of Hypotheticals and Hypothetical groups, you should access the Hypotheticals tab of the Simulation Basis Manager.

Fluid Package 1-271.4.3 Parameters TabThe information and options displayed on the Parameters tab is dependent on the Property Package selection. Some Property Packages will have nothing on the Parameters tab, while others display additional information required. Those Property Packages which have information on the Parameters tab are mentioned in this section.

If a value has been estimated by HYSYS, it will be indicated in red and will be modifiable.

GCEOS (Generalized Cubic EOS)

The Generalized Cubic Equation of State (GCEOS) is an alternative to standard equation of state property packages. It allows you to define and customize the cubic equation to your own specifications.

The Generalized Cubic Equation of State

In order to gain an understand of how to specify the GCEOS property package Parameters tab you must first consider the general cubic equation of state form:

Figure 1.17

(1.1)PRT

v b-----------

a T( )v2

ubv wb2+ +-------------------------------------=1-27


1-28or

where:

MRij = the mixing rule

In order to calculate the values of bi and ac, the cubic equation, Equation (1.12), is solved to find a value for .

(1.2)Z3 C1Z2 C2Z C3+ + + 0=

(1.3)

(1.4)

(1.5)

(1.6)

(1.7)

(1.8)

(1.9)

(1.10)

(1.11)

(1.12)

C1 Bu B 1=

C2 B2w B2u Bu A+=

C3 B3w B2w AB+ +( )=

Z PvRT-------=

AamixP

R2T 2--------------=

BbmixPRT

--------------=

amix xixj ai T( )aj T( ) MRij=

bmix xibi=

ai T( ) ac=

ac3 u w( )2+3 u 1( )+--------------------------------- u+

RTcVc=

bi Vc=

u w u+( ) w[ ]3 3 w u+( )2 3 1+ + 0=

Fluid Package 1-29The value of ai in Equation (1.9) requires you to use the term.

in turn is made up of the term.The parameter is a polynomial equation containing five parameters: 0, 1, 2, 3, 4 and 5. The parameter 0 is also represented by a polynomial equation consisting of 4 parameters (A, B, C and D).

The Parameters tab for the GCEOS consists of three group boxes: GCEOS Pure Component Parameters, GCEOS Parameters and Initialize EOS.

GCEOS Pure Component Parameters Group

This group allows you to define by specifying the values of 0-5.

To specify the value of 0, select the kappa0 radio button and a view similar to the one shown in Figure 1.18 should appear. The group consists of a matrix containing 4 parameters of Equation (1.15): A, B, C, and D for each component selected in the Fluid Package.

(1.13) T( ) 1 1 TR0.5

( )+[ ]2=

(1.14)

(1.15)

0 1 2 3TR( ) 1 TR4

( )+[ ] 1 TR0.5

+( ) 0.7 TR( ) T5

+=

0 A B C2 D3+ + +=

Figure 1.181-29


1-30To specify the remaining kappa parameters (i.e. 1-5), select the kapa1-5 radio button. A new matrix appears in the GCEOS Pure Component Parameters group.

This matrix allows you to specify the values for each component in the Fluid Package.

Volume Translation

The GCEOS allows for volume translation correction to provide a better calculation of liquid volume by the cubic equations of state. The correction is simply a translation along the volume axis, which results in a better calculation of liquid volume without affecting the VLE calculations. Mathematically this volume shift is represented as:

where: = translated volume

= is the translated cubic equation of state parameter

ci = the pure component translated volume

Figure 1.19

(1.16)

(1.17)

v v xici

i 1=

n

=

b b xicii 1=

n

=

v

b

Fluid Package 1-31

HYcorthohav0.0in tEstbe cel

To preselecurEst xi = the mole fraction of component i in the liquid phase.

The resulting equation of state will appear as shown in Equations (1.4), (1.5) and (1.6) with b and v replaced with the translated values ( and

).

To specify the value of the pure component correction volume, ci, select the Vol. Translation radio button. A view similar to the one shown in Figure 1.20 will appear.

The GCEOS Pure Components Parameters group will now contain a matrix containing the volume correction constants for each component currently selected. The matrix should initially be empty. You may enter your own values into this matrix or you may press the Estimate button and have HYSYS estimate values for you. ci is estimated by matching liquid volume at normal boiling point temperature with that of the liquid volume obtained from an independent method (COSTALD).

Figure 1.20

v

b

SYS will only estimate the rection volume constant for se components whose cells e no value (i.e. the contain

00). If you specify one value he matrix and press the imate button, you will only estimating the those empty ls.

estimate a cell containing a viously entered value, ct the cell, delete the rent value and press the imate button.1-31


1-32GCEOS Parameters Group

The GCEOS Parameters group allows you to specify the u and w parameters found in Equations (1.3) to (1.15). The following table lists the u and w values for some common equations of state:

Equation Status Bar

The GCEOS Parameter group also contains the Equation Status Bar . It tell you the status of the equation definition. There are two possible messages:

Figure 1.21

EOS u wvan der Waals 0 0Redlich-Kwong 1 0Peng-Robinson 2 -1

Message DescriptionThis message will appear if poor values are chosenfor u and w.

If the values chosen for u and w are suitable thismessage will appear.

Fluid Package 1-33Initialize EOS

The Initialize EOS drop down allows you to initialize GCEOS Parameters tab with the default values associated the selected Equation of State.

There are four options available:

van der Waals Equation SRK Equation PR Equation PRSV Equation

Kabadi Danner

The Kabadi Danner Property Package uses a Group Parameter which are automatically calculated by HYSYS. The values are generated from Twu's method.

Figure 1.22

Figure 1.231-33


1-34Peng-Robinson Stryjek Vera (PRSV)

PRSV uses an empirical factor, Kappa, for fitting pure component vapour pressures.

Zudkevitch Joffee

This Property Package uses a b zero Parameter. HYSYS sets the b zero parameter of the ZJ equation to be zero.

Chien Null

The Chien Null model provides a consistent framework for applying different activity models on a binary by binary basis. On the Parameters tab, you can specify the Activity Model to be used for each component pair, as well as two additional pure component parameters required by the model.

Figure 1.24

Figure 1.25

Fluid Package 1-35There are two groups present on the Parameters tab for the Chien Null property package:

Chien Null Component Parameters

Values for the Solubility and Molar Volume will be displayed for each library component and estimated for hypotheticals.

The Molar Volume parameter is used by the Regular Solution portion of the Chien Null equation. The Regular Solution is an Activity Model choice for Binary pair computations (see the following section).

Chien Null Binary Component Parameters

All the components in the case, including hypotheticals, are listed in the matrix. You can view details for the liquid and vapour phase calculations respectively, by selecting the appropriate radio button: Liq Activity Models or Virial Coefficients.

Figure 1.26

Figure 1.271-35


1-36

ThavaareBy selecting the Liq Activity Models radio button, you can specify the Activity Model that HYSYS will use for the calculation of each binary. The matrix displays the default property package method chosen by HYSYS for each binary pair. The choices are accessed by highlighting a cell and opening the drop down list in the Edit Bar. If Henry's Law is applicable to a component pair, HYSYS will choose this as the default property method. When Henry's Law is selected by HYSYS, you cannot modify the model for the binary pair.

In the above view, NRTL was selected as the default property package for all the binary pairs. You can use the default selections, or you can set the property package for each binary pair. Remember that the chosen method appears in both cells representing the binary.

HYSYS may filter the list of options according to the components involved in the binary pair.

By selecting the Virial Coefficients radio button, you can view and/or edit the virial coefficients for each binary. Values will only be shown in this matrix when the Virial Vapour Phase model has been selected on the Prop Pkg tab. You can use the default values suggested by HYSYS or edit these values. Virial coefficients for the pure species are shown along the diagonal of the matrix, while cross coefficients, which are mixture properties between components, are those not along the diagonal.

Wilson

The Molar Volume for each library component will be displayed, as well as those values estimated for hypotheticals.

Figure 1.28

e Property Packages ilable in the drop down list

:

None Required

Henry

van Laar

Margules

NRTL

Scatchard

Reg Soln

General

Fluid Package 1-37Chao Seader and Grayson Streed

Chao Seader and Grayson Streed also use a Molar

Documents

01 Simulation Basis