Comprehensive Process Simulation

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1 PRO/II Comprehensive Process Simulation Quick Overview The PRO/II process simulation program performs rigorous mass and energy balances for a wide range of chemical processes. From oil/gas separation to reactive distillation, PRO/II offers the most comprehensive and easy-to-use simulation solution available. The product s PROVISION graphical user interface (GUI), provides a fully interactive, Windows -based environment that is ideal for building and modifying both simple and complex PRO/II models. Industries Served Oil/gas processing Refining Petrochemicals Chemicals Polymers Fine chemicals/pharmaceuticals Engineering & construction/consultancy Simulation Applications Designing new processes Evaluating alternate plant configurations Modernizing & revamping existing plants Assessing and documenting compliance with environmental regulations Troubleshooting and debottlenecking plant processes Monitoring, optimizing, and improving plant yields and profitability Oil/Gas Processing Amine sweetening Cascade refrigeration Compressor train Deethanizer and demethanizer Expander plant Gas dehydration Hydrate formation/inhibition Multistage letdown Platform operations Refrigeration loop Turbo-expander optimization Refining Crude preheating Atmospheric crude distillation Vacuum column FCC main fractionator Coker fractionator Gas plant Gasoline and naphtha stabilizer Naphtha splitter and stripper Refinery reactors Shift and methanator reactors Sour water stripper Sulfuric and HF acid alkylation Deisobutanizer Petrochemicals Ethylene fractionator C3 splitter Aromatics separation Cyclohexane plant MTBE separation manufacturing Naphthalene recovery Olefin production Oxygenate production Propylene chlorination

2 PRO/II - Modeling for a Wide Array of Applications PHYSICAL PROPERTIES UNIT OPERATIONS Generalized Flowsheet Models Flash Valve Compressor/expander Pump Pipe Mixer/splitter Distillation Models Inside/out, Enhanced I/O, SURE, CHEMDIST algorithms Two-/three-phase distillation Four initial estimate generators Electrolytic distillation Reactive and batch distillation Shortcut models Liquid-liquid extractor Packed column sizing and rating Tray sizing and rating Thermosyphon reboiler Heat Exchanger Models Shell and tube, simplified, and LNG heat exchangers Zones analysis Heating/cooling curves Reactor Models Conversion and equilibrium reactors Plug flow reactor Continuous stirred tank reactor In-line FORTRAN reaction kinetics Gibbs Free Energy minimization Shift and methanation reactors Boiling pot reactor Interface to KBC Profimatics REFSIM, HTRSIM, and FCCSIM Models Batch reactor Polymer Models Continuous stirred tank reactor Plug flow reactor Kinetics Mechanisms - Homogeneous Ziegler-Natta - Chain polymerization - Condensation polymerization Wiped film evaporator Solids Models Crystallizer/dissolver Countercurrent decanter Centrifuge Rotary filter Dryer Solid separator Cyclone Component Databanks 1,700+ pure component library Solids properties component/species electrolyte databank Non-library components Pseudocomponents and assay characterization User libraries Properties from structure Multiple assay blends Van Krevelen method for polymers PERFORMANCE AND SPECIAL FEATURES In-line FORTRAN procedures Stream calculator General FORTRAN calculator Unlimited components, streams, units, and recycles Generalized specifications and constraints User-added subroutines (UAS) Case study Simulation database PRO/II Data Transfer System (PDTS) Depressuring Exergy analysis PFD data export capability (.DXF format for CAD programs) OLE Automation Layer Mixture Data Binary parameters for 3,000+ VLE binaries on-line Binary parameters for 300+ LLE binaries on-line 2,200 azeotropes on-line for parameter estimation Special data packages: Alcohol dehydration Natural gas dehydration with triethylene glycol Sour water package from GPA (GPSWAT) Gas and liquid amines treating Mercaptans PROVISION GUI Flexible flowsheet drawing and data input Advanced reporting capabilities On-line help Color-coded input guidance User-configurable defaults HTML output review Unit and stream search capability Flowsheet panning Autosizing Keyword file input and generation Plot manager Assay curves and TBP plots On-demand view of results Dynamic update of stream temperature, pressure, and flowrate flags

3 THERMODYNAMIC MODELS Data Preparation, Validation, & Regression PRO/II with PROVISION Examine pure component fixed and temperature-dependent properties in tabular form or on plots Generate properties from structure Produce private user libraries Regress pure component property data Regress mixture phase equilibria data Display calculated binary VLE and VLLE plots DATAPREP Review reference and source information for data Show family plots for fixed properties Display library enthalpy plots for components FLOWSHEET CONTROL Feed-forward control Feedback controller Multivariable controller Parameter cross-referencing Optimizer Automatic sequencing Recycle convergence methods - Direct Substitution - Wegstein acceleration - Broyden acceleration Binary Interaction Parameter Databanks Soave-Redlich-Kwong (SRK) Peng-Robinson (PR) Huron-Vidal mixing rule (for SRK & PR) Panagiotopoulos and Reid mixing rule (for SRK & PR) SIMSCI mixing rule (for SRK) BWRS UNIQUAC NRTL-8 coefficient form Henry s Law for non-condensibles Heats of mixing Hayden-O Connell Hexamer INTERACTIVE CALCULATIONS Visual convergence status Independent cross-checking of data Calculation control options (run, step, stop, go to) Breakpoint management (set, clear, show) Flash hot key BVLE hot key Flowsheet convergence window Interactive and batch calculation control Client Testimonials SIMSCI s powerful tools have given solutions to many problems concerning optimization, debottlenecking, energy savings, and new designs. The technology is supported by truly excellent engineering services, said EniChem s corporate simulation coordinator. EniChem wanted to find a standard that has an open and common architecture across its diverse simulation applications and also wanted an experienced vendor with a track record in more than just steady-state flowsheeting. SIMSCI has the right strategic technology mix and a vision of a Windows environment, as well as references in fluid flow, data reconciliation, heat transfer, on-line optimization, and wastewater. Refining/Oil & Gas/Petrochemicals Soave-Redlich-Kwong (SRK) Peng-Robinson (PR) Huron-Vidal mixing rule (for SRK & PR) Kabadi-Danner mixing rule (for SRK) Panagiotopoulos and Reid mixing rule (for SRK & PR) SIMSCI mixing rule (for SRK) Temperature-dependent Kijs Lee-Kesler Lee-Kesler-Ploecker Grayson-Streed Braun K10 Ideal library methods BWRS Chao-Seader Costald API density method Single and multi-fluid Rackett densities Steam tables Free-water decant Petrochemicals/Chemicals/Polymers UNIFAC (VLE, LLE, AND VLLE) - Temperature dependent UNIFAC-FV (free volume) UNIWAALS UNIQUAC NRTL-8 coefficient form Wilson Van Laar Margules Regular solution model Acid dimerization Henry s Law for non-condensibles Henry s Law for dilute aqueous systems Three-phase equilibrium (VLLE) Heat of mixing Hayden-O Connell Electrolyte models (OLI and Chen) Advanced Lattice Model (ALM) for polymers Flory-Huggins with Chi for polymers SAFT EOS for polymers PHSC EOS for polymers

4 PRO/II - Delivering Rigorous Simulation Results to Your Desktop 1 Draw Your Flowsheet 2 Define Your Components 3 Select Your Thermodynamic Calculation Methods 1) Select the appropriate unit operations from the PRO/II suite of process unit icons. Simply point to the icon button, click the mouse, and drop the unit in the work area by clicking again. Defining the streams is also easy. Just click the STREAMS button. Then, point and click the mouse on the feed and product ports of each process unit. 2) Click the components icon button to enter a list of all components in the process. Choose from more than 1,700 components in SIMSCI s builtin database by typing the component name or selecting it from a pre-defined list. 3) Click the phase diagram button to choose your thermodynamic methods from the list of commonly used methods, generalized correlations, equations-of-state methods, liquidactivity methods, and special data packages. 4 Define Your Feed Streams 5 Provide Your Process Conditions 6 Run Your Simulation 4) Double-click on each external feed stream to supply stream data (flowrates, compositions, temperature, and pressure). 5) Double-click on each unit operation icon in your flowsheet, and provide the required process data (data fields outlined in red). As you enter process data, the data field border changes color from red to blue. 6) That s it! Once you have provided all of the required data and no longer see red-bordered fields, you are ready to run your simulation.

5 Typical Processes Modeled with PRO/II Chemicals Ammonia synthesis Azeotropic and extractive distillation Crystallization Dehydration processes Inorganic processes (including electrolytes) Liquid-liquid extraction Phenol distillation Solids handling Polymers Free radical polymerization General-purpose polystyrene Low-density polyethylene Polymethyl methacrylate Polyvinylacetate Step-growth polymerization Polyesters Polyamides Nylon 6, nylon 6/6, and nylon 6/12 Copolymers Polystyrene-co-methyl methacrylate Polyethylene vinylacetate Pharmaceuticals Batch distillation Batch reaction Powerful, Easy to Use Interface The PRO/II simulation program offers a graphical environment with an easy-touse interactive interface, PROVISION. A full-featured drawing utility incorporates point-and-click and drag-and-drop functionality for defining streams and unit operations so drawing process flow diagrams (PFDs) is simple. PROVISION incorporates many built-in Microsoft standards, such as OLE Automation, enabling you to quickly transfer graphics and process data to other Windows applications. You can easily configure the environment to suit your preferences in many areas, such as units of measure, thermodynamics, and unit icon types. In addition, you can select interactive or batch calculation control and quickly review simulation results via on-demand reports, plots, and tables. PROVISION employs a novel approach to problem specification: an interactive color-coded data entry and validation system guides you through simulation setup and execution. The result: a remarkably easy-to-learn and easyto-use interface with visually enhanced program navigation. Productivity Enhancing Architecture PRO/II not only promotes ease-of-use but also provides the openness needed to successfully transfer important data to other engineering programs. Engineering workgroups can significantly improve productivity using this feature. The PRO/II OLE Automation layer provides access to practically any piece of data in a simulation database. You can easily move data between PRO/II and Microsoft Excel or other OLE compliant applications through the server interface. This powerful capability supports practically any engineering workflow process. Having a standard process engineering computing environment reduces software learning curves, facilitates data transfer between applications, and increases software usage. PRO/II provides an environment where engineers spend less time simulating process problems and more time implementing process improvements. PRO/II Add-on Modules The PRO/II process simulation program offers you a number of optional modules for expanded functionality. Interface Modules HTFS - The PRO/II-HTFS Interface automates the retrieval of stream property data from a PRO/II database and creates an HTFS input file using the data. HTRI - The PRO/II-HTRI Interface retrieves data from a PRO/II database and creates HTRI input files for the various HTRI programs. Stream property profiles from PRO/II thermophysical properties calculations are provided to HTRI s rigorous heat exchanger design programs.

6 Linnhoff March - Rigorous mass and energy balance results from PRO/II can be transferred to the Column module of the SuperTarget suite to analyze the overall energy efficiency of a separation process. Suggested improvements then can be evaluated in a subsequent PRO/II run. Application Modules Batch - A stirred tank batch reactor and a batch distillation model are available for running separately or as part of a PRO/II flowsheet. The operation is described through a sequence of operating policy statements, providing unparalleled flexibility. Electrolytes - This module forms a seamless integration with rigorous electrolyte thermodynamic algorithms developed by OLI Systems, Inc. The Electrolyte Utility Package, part of the module, extends the functionality even further by providing features such as generating custom electrolyte models and creating and maintaining proprietary species databanks. Polymers - Industrial polymer processes can be simulated and analyzed, with capabilities ranging from monomer purification and polymerization reactions to separation and finishing. Unique to PRO/II, this module provides the ability to describe any polymer component by a series of average molecular weight fractions, allowing accurate modeling of polymer blending or fractionation. Profimatics - The KBC Profimatics reactor models (REFSIM, HTRSIM, FCC SIM) are fully integrated as PRO/II unit operations. Unique to PRO/II, basic component and thermophysical properties data modified by these reactions are automatically updated including convergence of recycle stream data. Hardware Requirements PC/LAN: Intel Pentium 120MHz/ or compatible CPU 32 Mb of RAM 75 Mb Disk Space SVGA Graphics Card and Monitor CD-Rom Drive Windows 95/98/NT Compatible mouse Process Engineering Suite SIMSCI s Process Engineering Suite (PES) is a consistent set of technically superior tools for process engineering design and operational analysis. Using the industry leading Windows NT environment, our integrated suite of software readily interfaces with other applications commonly used by process engineers, thus enhancing productivity in the plant lifecycle. PES can be used for oil and gas production, refining, petrochemicals, chemicals, pharmaceuticals, and polymer plant modeling. PRO/II General-purpose process flowsheeting and optimization. HEXTRAN Comprehensive heat-transfer simulation and pinch analysis. DATACON Complete plant gross error detection and data reconciliation. INPLANT Multiphase, fluid flow simulation for plant piping networks. VISUAL FLOW Design and modeling of safety systems and pressure relief networks. About SIMSCI SIMSCI, an Invensys company, is a leading provider of commercial simulation and optimization software and related services to the petroleum, petrochemical, industrial chemical, and engineering and construction industries. SIMSCI s products are designed to increase profitability by reducing capital investment costs, improving yields, and enhancing management decision making. SIMSCI maintains offices in Brazil, Germany, Japan, Singapore, the United Arab Emirates, the United Kingdom, the United States, and Venezuela and provides support and services to more than 650 customers in over 65 countries. For more information about SIMSCI, visit the SIMSCI website at The indicates registration in the USA and certain other countries. All other trademarks noted herein are owned by their respective companies. 2000, Simulation Sciences Inc. An Invensys company. All rights reserved. 2/00 (10M)

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