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ChemCad 6. User Guide PDF

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CHEMCAD Version 6 User Guide All material © 2010 Chemstations, Inc. CHEMCAD Version 6 User Guide Table of Contents Chapter 1 – Introduction to CHEMCAD..............................................................................................1 Overview of CHEMCAD and Its Uses................................................................................................1 CHEMCAD Products and Features.................................................................................................3 CC-STEADY STATE.......................................................................................................................................3 CC-DYNAMICS...............................................................................................................................................3 CC-BATCH.......................................................................................................................................................3 CC-THERM.......................................................................................................................................................3 CC-SAFETY NET.............................................................................................................................................3 CC-FLASH........................................................................................................................................................3 CHEMCAD Features by Module......................................................................................................4 UnitOps by Module............................................................................................................................5 Chapter 2 – Getting Started with CHEMCAD.....................................................................................7 Installing the Software...........................................................................................................................7 Licensing CHEMCAD.........................................................................................................................10 Types of CHEMCAD Licenses........................................................................................................10 License Settings.................................................................................................................................11 Updating a License...........................................................................................................................13 Getting Help with CHEMCAD..........................................................................................................15 Online Help.......................................................................................................................................15 CHEMCAD Coach............................................................................................................................15 Procedure Demos..............................................................................................................................15 The Chemstations Web Site.............................................................................................................16 Contacting Chemstations Technical Support...............................................................................16 CHEMCAD Version 6 User Guide  i Table of Contents  Chapter 3 – The CHEMCAD Interface................................................................................................17 The CHEMCAD Window...................................................................................................................17 The Workspace..................................................................................................................................18 The CHEMCAD Explorer Pane......................................................................................................18 The Recent Files Tab.......................................................................................................................................19 The Simulation Tab.........................................................................................................................................19 The Visual Basic Tab.......................................................................................................................................20 The Palette Pane................................................................................................................................20 Selecting a Palette............................................................................................................................................20 Customizing Palettes.......................................................................................................................................21 The Messages Pane...........................................................................................................................22 The Errors and Warnings Tab..........................................................................................................................22 The Run Trace Tab..........................................................................................................................................22 The Notes Tab.................................................................................................................................................23 The Main Menu.................................................................................................................................23 The Toolbar........................................................................................................................................23 Customizing the CHEMCAD Screen.................................................................................................24 Viewing and Hiding Screen Elements...........................................................................................24 Resizing and Moving Items.............................................................................................................24 Resizing a Pane................................................................................................................................................24 Moving a Pane.................................................................................................................................................25 Pinning and Unpinning Panes........................................................................................................25 Other Useful Interface Hints...............................................................................................................26 Undo and Redo.................................................................................................................................26 Visible Grid........................................................................................................................................27 Adjusting Your View of the Workspace........................................................................................27 The CHEMCAD Coach Pane..........................................................................................................27 Chapter 4 – Working with Simulation Files......................................................................................29 About CHEMCAD Simulation Files..................................................................................................29 User Components in CHEMCAD..................................................................................................30 Example Files.....................................................................................................................................30 Opening an Existing Simulation........................................................................................................31 Creating a New Simulation.................................................................................................................31 Saving a Simulation..............................................................................................................................32 Saving Different Cases for the Same Simulation..........................................................................32 E‐mailing a Simulation........................................................................................................................33 Working with CHEMCAD Files from Previous Versions..............................................................34  ii  CHEMCAD Version 6 User Guide Table of Contents  Chapter 5 – Building and Using a Basic Simulation........................................................................35 Starting a New Simulation..................................................................................................................35 Selecting Engineering Units................................................................................................................36 Drawing the Flowsheet........................................................................................................................36 Adding UnitOps...............................................................................................................................36 Selecting a Default Icon for a UnitOp.............................................................................................................37 Manipulating UnitOp Icons.............................................................................................................................38 UnitOp ID Numbers........................................................................................................................................38 Drawing and Connecting a Stream................................................................................................39 Choosing a Stream Route................................................................................................................................39 Rerouting a Stream..........................................................................................................................................40 Stream ID Numbers.........................................................................................................................................40 Other Drawing Tools........................................................................................................................41 The Text Tool..................................................................................................................................................41 Simple Drawing Tools: Rectangle, Ellipse, and Line......................................................................................41 Complex Drawing Tools: Multi-line and Polygon..........................................................................................41 Selecting Chemical Components........................................................................................................42 Finding a Component......................................................................................................................43 Adding a Component.......................................................................................................................44 Changing the Order of Selected Components..............................................................................45 Removing Items from the Selected Components List.................................................................45 Selecting K‐value and Enthalpy Options..........................................................................................46 Using the Thermodynamics Wizard..............................................................................................46 Selecting Components to Ignore......................................................................................................................46 Specifying Process Conditions........................................................................................................................46 How the Thermodynamics Wizard Makes Suggestions..................................................................................46 Should the Thermodynamics Wizard be trusted to make design decisions?...................................................47 Manually Selecting Thermodynamics Settings............................................................................47 Defining Streams..................................................................................................................................48 Thermodynamic Properties.............................................................................................................48 Stream Composition.........................................................................................................................49 Total Flow Properties.......................................................................................................................49 Specifying Equipment Parameters.....................................................................................................49 Running the Simulation.......................................................................................................................50 Reviewing the Results..........................................................................................................................51  CHEMCAD Version 6 User Guide  iii Table of Contents  Chapter 6 – Using CHEMCAD for High‐fidelity Modeling...........................................................53 What is high‐fidelity modeling?.........................................................................................................53 Criteria for High‐fidelity Modeling...................................................................................................54 Introduction to Equipment Sizing.....................................................................................................54 High‐fidelity Modeling and Sizing for Common UnitOps............................................................55 Piping..................................................................................................................................................55 Low-fidelity.....................................................................................................................................................55 Sizing...............................................................................................................................................................55 High-fidelity....................................................................................................................................................56 Pumps, Compressors, and Expanders...........................................................................................56 Low-fidelity.....................................................................................................................................................56 High-fidelity....................................................................................................................................................56 Vessels and Tanks.............................................................................................................................56 Low-fidelity.....................................................................................................................................................56 Sizing...............................................................................................................................................................57 High-fidelity....................................................................................................................................................57 Valves.................................................................................................................................................57 Low-fidelity.....................................................................................................................................................57 Sizing...............................................................................................................................................................58 High-fidelity....................................................................................................................................................58 Columns.............................................................................................................................................58 Low-fidelity.....................................................................................................................................................58 Sizing...............................................................................................................................................................58 High-fidelity....................................................................................................................................................60 Heat Exchangers...............................................................................................................................60 Low-fidelity.....................................................................................................................................................60 Sizing...............................................................................................................................................................60 High-fidelity....................................................................................................................................................60 Relief Devices....................................................................................................................................61 Low-fidelity.....................................................................................................................................................61 High-fidelity....................................................................................................................................................62 Licensing Considerations for High‐fidelity Modeling....................................................................62 Chapter 7 – Building and Using a Dynamic Simulation.................................................................63 What do we mean by dynamics?.......................................................................................................63 Licensing Considerations....................................................................................................................63 Additional Input for Dynamic Operation.........................................................................................64 Strategies for Dynamic Simulations...............................................................................................65 Setting Up Dynamic Operation..........................................................................................................65 Switching to Dynamics....................................................................................................................65 Setting the Run Time........................................................................................................................66 iv  CHEMCAD Version 6 User Guide Table of Contents  Selecting Streams and UnitOps......................................................................................................68 Running a Dynamic Simulation.........................................................................................................69 Run from Initial State.......................................................................................................................69 Run from Current State....................................................................................................................69 Run One Step at a Time...................................................................................................................70 Other Dynamic Commands................................................................................................................70 Reset to Initial State..........................................................................................................................70 Save As Initial State..........................................................................................................................71 Output from Dynamic Simulations...................................................................................................71 Reviewing the Flowsheet Specifications........................................................................................72 Plotting Dynamic Results................................................................................................................72 Text‐based Dynamic Reports..........................................................................................................72 Chapter 8 – Output and Reports...........................................................................................................75 Text Reports..........................................................................................................................................75 Report Output Setup........................................................................................................................75 Stream‐based Reports.......................................................................................................................76 Stream Groups.................................................................................................................................................76 Stream Compositions.......................................................................................................................................78 Stream Properties.............................................................................................................................................79 Particle Size Distribution.................................................................................................................................80 Pseudocomponent Curves................................................................................................................................80 UnitOp‐based Reports......................................................................................................................80 UnitOp Groups................................................................................................................................................80 Select UnitOps.................................................................................................................................................81 Spec Sheet........................................................................................................................................................82 Distillation.......................................................................................................................................................82 Flowsheet‐based Reports.................................................................................................................83 Topology..........................................................................................................................................................83 Thermodynamics.............................................................................................................................................83 Mass and Energy Balances..............................................................................................................................83 Dynamics Reports.............................................................................................................................83 Batch Results...................................................................................................................................................83 Dynamics.........................................................................................................................................................83 Consolidated Reports and the CHEMCAD Report Writer.........................................................84 Choosing and Ordering Report Sections..........................................................................................................84 Selecting Flowsheet Elements.........................................................................................................................85 Formatting Report Sections.............................................................................................................................85 Naming the Report and Choosing a Destination..............................................................................................86 Graphical Reports.................................................................................................................................87 CHEMCAD Version 6 User Guide  v Table of Contents  Thermophysical Data Graphs.........................................................................................................87 TPXY...............................................................................................................................................................87 Binary LLE......................................................................................................................................................87 Binodal Plot.....................................................................................................................................................87 Binodal/Residue Curves..................................................................................................................................87 Residue Curves................................................................................................................................................88 Solid/Liquid Equilibrium.................................................................................................................................88 Flowsheet‐based Graphs..................................................................................................................88 UnitOp‐based Plots..........................................................................................................................88 Tower Profiles.................................................................................................................................................88 Heat Curves.....................................................................................................................................................88 Plug Flow Reactor Profile...............................................................................................................................88 Pipe Profile......................................................................................................................................................88 Controller Convergence...................................................................................................................................89 Dynamic Plots...................................................................................................................................89 User‐specified File............................................................................................................................89 Printing CHEMCAD Reports.............................................................................................................89 Process Flow Diagrams.......................................................................................................................90 Flowsheet Databoxes........................................................................................................................90 Stream Boxes...................................................................................................................................................90 UnitOp Boxes..................................................................................................................................................91 TP Boxes.........................................................................................................................................................91 Excel Range Boxes..........................................................................................................................................92 Using the Layers Feature for Selective Viewing and Printing...................................................93 Scenarios for Using Layers..............................................................................................................................93 Creating a New layer.......................................................................................................................................94 Assigning Objects to a Layer...........................................................................................................................95 Hiding and Viewing Layers.............................................................................................................................95 Removing an Object from a Layer..................................................................................................................96 Deleting an Entire Layer..................................................................................................................................96 Printing a Process Flow Diagram...................................................................................................96 Chapter 9 – Customizing CHEMCAD................................................................................................99 Flowsheet Templates...........................................................................................................................99 Creating a Template.......................................................................................................................100 Viewing a Template’s Properties..................................................................................................100 Applying a Template......................................................................................................................100 Renaming or Deleting a Template................................................................................................100 Creating Custom Components.........................................................................................................101 Adding a Single Component.........................................................................................................101 Creating the Component................................................................................................................................101 vi  CHEMCAD Version 6 User Guide Table of Contents  Regressing Data into the Component............................................................................................................104 Pseudocomponent Range..............................................................................................................105 Importing a Neutral File................................................................................................................106 Creating a Custom Symbol...............................................................................................................107 Customized Costing Calculations....................................................................................................109 Creating Custom UnitOps................................................................................................................109 Creating a Custom UnitOp Dialog Box.......................................................................................110 Customizing Thermodynamics........................................................................................................111 Creating a Custom K‐value or Enthalpy Model.........................................................................111 Creating a Custom Mixing Rule...................................................................................................112 Visual Basic Applications (VBA)......................................................................................................113 Defining a Reaction, Mixing Rule, or UnitOp............................................................................113 Using a VBA‐defined Reaction.....................................................................................................113 Using a VBA‐defined Mixing Rule...............................................................................................114 Using a VBA‐defined UnitOp.......................................................................................................115 Chapter 10 – Data Interfaces...............................................................................................................117 Excel Data Mapping...........................................................................................................................118 Creating an Excel Data Map..........................................................................................................118 Data Map Execution Rules............................................................................................................121 Creating Excel UnitOps.....................................................................................................................123 Specification Sheets............................................................................................................................124 Using CHEMCAD as an OPC Server..............................................................................................125 OPC Applications...........................................................................................................................125 OPC Compliance.............................................................................................................................125 Enabling CHEMCAD as an OPC Server.....................................................................................125 Reading and Writing Values to CHEMCAD Using OPC.........................................................126 OPC Server Operations..................................................................................................................126 CHEMCAD OPC Namespace.......................................................................................................127 COM Interfaces...................................................................................................................................128 Connecting Excel and CHEMCAD: A Simple COM Interface.................................................128 Using the VBClient Example........................................................................................................................129 A Peek under the Hood..................................................................................................................................129 Chapter 11 – CHEMCAD Tutorials...................................................................................................131 CC‐STEADY STATE Tutorial...........................................................................................................132 Overview..........................................................................................................................................132 Starting a New Simulation............................................................................................................133 Selecting Engineering Units..........................................................................................................133 CHEMCAD Version 6 User Guide  vii Table of Contents  Drawing the Flowsheet..................................................................................................................133 Placing UnitOps.............................................................................................................................................133 Drawing Streams...........................................................................................................................................136 Selecting Components....................................................................................................................136 Selecting Thermodynamic Options..............................................................................................138 Defining the Feed Streams.............................................................................................................140 Enter UnitOp Parameters..............................................................................................................142 First Heat Exchanger.....................................................................................................................................142 Second Heat Exchanger.................................................................................................................................143 Flash Drum....................................................................................................................................................143 Valve..............................................................................................................................................................143 Stabilizer Tower............................................................................................................................................144 Run the Simulation.........................................................................................................................144 Review the Results and Print as Needed.....................................................................................144 Checking the Cricondentherm Dewpoint.......................................................................................................144 Checking the Bottoms Stream Purity.............................................................................................................147 Re-running the Simulation.............................................................................................................................148 Producing a Text Report................................................................................................................................149 Generating a Process Flow Diagram..............................................................................................................150 CC‐THERM Tutorial..........................................................................................................................153 Overview of the Heat Exchanger Sizing Process.......................................................................154 Identify the Tube‐side Stream.......................................................................................................154 Generate the Heat Curve...............................................................................................................155 Define General Specifications.......................................................................................................156 Set Tube Specifications...................................................................................................................157 Set Shell Specifications...................................................................................................................157 Set Baffle Specifications..................................................................................................................158 Baffle Spacing...............................................................................................................................................158 Baffle Cut Percent.........................................................................................................................................158 Set Nozzle Specifications...............................................................................................................159 Set Clearance Specifications..........................................................................................................159 Set Material Specifications.............................................................................................................160 Set Miscellaneous Specifications...................................................................................................160 Run Sizing Calculations.................................................................................................................161 Review Results and Create Plots..................................................................................................161 CC‐BATCH Tutorial..........................................................................................................................164 Description of the Problem............................................................................................................164 Overview of the Batch Distillation Process.................................................................................165 Creating a New Simulation...........................................................................................................166 viii  CHEMCAD Version 6 User Guide

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