Contents Introduction to Simulators Commercial Simulators and Usage Structure of Simulators Introduction to Simulations Applications Simulation Problems Approaches to Simulation Prerequisite for Simulation Degrees of Freedom Significance Defining Streams and Unit Operation Summary
Simulator An Engineering Tool, which performs, Automated calculations Mass & Energy balances Physical property estimations Design / Rating calculations Costing Process optimization Commercial Simulators AspenPlus, Aspen.Hysys, ChemCAD, Design II, PRO II and others Evaluated based Number and type of components Thermodynamic models and solvers Number of unit operations handled Facility to write users own code Linkage to other packages User Interface
General Usage 9% 24% 34% 24% 10% Usage of Various Simulators in Undergraduate Courses Pro II/ Provision HYSYS Aspen Plus ChemCAD Other CACHE Survey (2001) General Usage Reasons for not using Simulators in various courses Lack of awareness for learning the packages A common misconception: It will take too long to be learnt. No motivation. After learning once, dont put it to practice. CACHE Survey (2001) Structure of A Simulator Component Database: Components and Constants Thermodynamic Model Solver Flowsheet Builder: Information on streams and equipments Unit Block Solver: MB and EB Data Output Generator Flowsheet Solver: Control Process Simulation Useful in both industry and academics Initially used for Design only but now plays a vital role in all subjects Large Database Physical Property Estimation 1970s onward emerged as a powerful tool Simulate with Understanding Simulation Simulation is the act of representing some aspects of the real world by numbers or symbols which may be manipulated to facilitate their study.
Cont.. Simulation is a mathematical model of a process, which attempts to predict how the process would behave, if it was constructed. Flowsheeting Use of computers to perform (at steady state): Mass and Energy Balances Sizing (Design / Rating) Costing
Application of Simulation To effectively carry out process design To find: How much to produce? What equipment to use? What operating conditions to employ? What is the profitability? More Applications Designing new processes Evaluating alternate plant configurations Modernizing & revamping existing plants Expansion of existing plants retrofitting To develop a better understanding of how process plants really operate To predict operating efficiencies To anticipate problems & trouble shooting
Cont.. To train operators To assist in planning for production Changes Assessing compliance with environmental regulations For debottlenecking plant processes Enhancing productivity Monitoring, optimizing and improving plant yields and profitability Analysis of what-if ? scenarios Simulation Problems Flowsheeting (Rating) Problem Specification (Analysis) Problem Synthesis (Design) Problem
Flowsheeting Problem Specification (Analysis) Problem Synthesis (Design) Problem Cont.. Name the type of Problem Approaches to Simulation Modular Approach: Sequential Approach: Output is obtained from Input and Equipment Parameters Recycle stream is the tear stream. Simultaneous Modular Approach: Linear model: relate each output value as a linear combination of all its input value. (Computational Burden)
Sequential Modular Approach Structure Flowsheet Topology Unit Operation Models Physical Property Models Flow sheet topology Sequencing flow sheet Identify Recycles Tear streams Interacts with both unit operation models and physical property models Unit Operation Models Unit operation procedures Represents the library of the unit models (each solved with specialized calculations) Receives input from top level and provides output Interacts with Physical property models
Physical Property Model Physical property estimation methods Models for phase equilibrium, enthalpy, entropy, density etc The level is frequently accessed by unit operation models and can also be accessed by top level for flow sheet initialization and stream calculations Process of solution At each level key task is the solution of sets of non linear equations given generally as f(x)=0 For a specified tear stream the model is x=g(x) Sequential Modular Approach is the easiest to write rigid and clear problem definition guarantees solution suitable for rating only design specifications have to be handled indirectly - results in a loop of calculations More computational time Equation Solving Approach Sets of linear and/or non linear equations are solved simultaneously Linear/Non linear equations, include: MB and EB equations Model equations Connection equations Design specifications Constratints Physical property estimations Sizing & costing calculations
Structure Flowsheet Topology and Unit Operation Physical Property Models Cont.. is difficult to write flexibility & freedom to choose inputs solution is not guaranteed can handle inputs (Design specifications) w.r.t. intermediate or product streams suitable for both design and rating calculations Less Computational time Comparison Modular Equation Oriented Simulate one model at a time Solve all unit models together Decompose flowsheet Order Equations Iterate on tear streams Update all unknown variables Simultaneously Less flexible but more robust More flexible but less robust Initialization is important Initialization is very important Storage requirement not high Storage requirement can be very high Prerequisite for Simulation Modeling Mathematical Procedures Physical Property Estimations Degrees of Freedom
Degrees of Freedom (DOF) Lets Talk of Thermodynamics (!!!) Gibbs Phase Rule Duhems Theorem Or Mathematics Number of (model) equations and Number of unknowns (process variable) are required to be same for getting the solution.
Mathematical Form of DOF F=N-+2 (Gibbs Phase Rule) F=Nv-Ne Where, Nv= Number of independent variables Ne=Number of independent equations Significance Specification of the problem is Important This is achieved by: Defining minimum number of variables Selection of proper variables so as to obtain the solution Obtaining DOF One must know two things The variables associated with process Which process is going on To know these one must be good in Chemical Engineering (?) DOF for a Stream The variable associated with a stream Lets Fill the blank
The process occurring in a stream ? Defining a Stream T, P, Flow rates of all components (C+2) T, P, Total Flow rate, Composition of all but one component (C+2) T, Vapor Fraction, Flow rates of all components (C+2) T, Vapor Fraction, Total Flow rate, Composition of all but one component (C+2) P, Vapor Fraction, Flow rates of all components (C+2) P, Vapor Fraction, Total Flow rate, Composition of all but one component (C+2) DOF for Unit Operation Find out Number of streams associated with the Units (Let, n) Number of variables will be n times C+2 Find out the model equations associated with the Unit (No rule of thumb for this) Get the difference DOF DOF can only tells us how many variables but not which variable. Summary Simulators are inevitable tools for the process engineers Huge Number of commercial simulators are available but, the selection of proper simulator is important Awareness and continuous use of simulator is a must Simulation is a tool to fight the battle without loosing life.
Cont.. Simulation without understanding does not make any sense. Application of Simulation ranges from various subject of process engineering to optimization of process plants. Simulation Problems includes Design, Rating and Analysis. Modular and Equation Oriented Approaches are there to tackle Simulation Problem.
Cont.. Prerequisites for the Simulation includes Modeling, Mathematical Methods, Physical Property Estimation and Degrees of Freedom DOF is an essential tool for solving a (in fact specifying) the problem DOF tells us how many to define but, not what to define.