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Chemical Engineering: Modeling, Simulation, Optimization

The document provides an overview of modeling, simulation, and optimization in chemical engineering, highlighting their importance in various processes such as design, development, and efficiency improvement. It outlines the phases of simulation, including model development, experimental design, and analysis, while also discussing the advantages and disadvantages of simulation. Additionally, it defines optimization and its components, emphasizing the goal of selecting the best decision under given constraints.

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0% found this document useful (0 votes)
9 views15 pages

Chemical Engineering: Modeling, Simulation, Optimization

The document provides an overview of modeling, simulation, and optimization in chemical engineering, highlighting their importance in various processes such as design, development, and efficiency improvement. It outlines the phases of simulation, including model development, experimental design, and analysis, while also discussing the advantages and disadvantages of simulation. Additionally, it defines optimization and its components, emphasizing the goal of selecting the best decision under given constraints.

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parmardilip8780
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Unit-I

Introduction
Mrs. Vaidehi Parikh
Assistant Professor,
Department of Chemical Engineering,
MSU, Vadodara
Objective

• What is modelling?
• What is simulation?
• What is Optimization?
What does ‘Model’ Mean?
We wanted to list most important activities of chemical engineering
which are impossible without mathematical modeling.
• process design • ensure an easy technological transfer of the
• process development process
• reduction of manufacturing costs • increase the quality of process management
• production planning and scheduling • reveal abilities to handle complex problems
• reduction time and costs in all stages of the • improved process monitoring
process life-cycle • predicting product qualities
• the increase of process efficiency • continuous process optimization
• calculations of operation benefits • contribute to reducing pollution
• process troubleshooting • improve the safety of the plants
• equipment sizing • market new products faster
• allow a better and deeper understanding of the • reduce waste emission while the process is
process and its operation being developed
• support for the solutions adopted during the • improve the quality of the products
process
• education of engineers
• development and exploitation
• ensure a high quality of training of the
operators.
What does ‘Simulation’ mean?
Simulation
• A simulation model will include:
• Model inputs that are uncertain numbers/ uncertain variables
• Intermediate calculations as required
• Model outputs that depend on the inputs -- These are uncertain functions
• Simulation is imitation of some real thing, or a process.
• The act of simulating something generally involves representation of
certain
• key characteristics or
• behaviors of a selected physical or abstract system.
• Simulation involves the use of models to represent real life situation.
Reasons for simulation:
• Experiments on real systems are too expensive, too dangerous, or the
system to be investigated does not yet exist
• E.g. investigating ship durability by building ships and letting them collide is
a very expensive method of gaining information;
• training nuclear plant operators in handling dangerous situation by letting the
nuclear reactor enter hazardous state is not advisable.
• The time scale of the dynamics of the system is not compatible with
that of the experiment.
• E.g. It takes millions of years to observe small changes in the development of
the universe, whereas similar changes can be quickly observed in a computer
simulation of the universe.
Reasons for simulation:
• Easy manipulation of parameters of models (even outside the feasible
range of a particular physical system)
• E.g. Then mass of a body in a computer-based simulation model can be
increased from 40 to 500 Kg at a keystroke, whereas this change might be hard
to realize in the physical system.
• Suppression of disturbances
• Allow isolating particular effects and gaining a better understanding of effects
of particular interest as a result
• E.g. simulation of free-fall objects ignores the effect of air resistance.
Phases and Steps of Simulation
• Phase1. Develop Simulation Model
• Step-1: Identify the problem
• Step-2: Formulate the problem
• Step-3: Collect and process real system data
• Step-4: Formulate and develop a model
• Step-5: Validate the model
• Step-6: Document model for future use
Phases and Steps of Simulation
• Phase2. Design and Conduct Simulation Experiment
• A test or series of tests in which meaningful changes are made to the input
variables of a simulation model so that we may observe and identify the
reasons for changes in the performance measures
• Step-7: Select appropriate experimental design
• Step-8: Establish experimental conditions for runs
• Step-9: Perform simulation runs
• Phase-3: Perform Simulation Analysis
• Step-10: Analyze data and present results
• Step-11: Recommend further courses of actions
Advantages of Simulation
• It is useful for sensitivity analysis of complex systems.
• It is suitable to analyze large and complex real life problems that
cannot be solved by the usual quantitative methods.
• It is the remaining tool when all other techniques become intractable
or fail.
• It can be used as a pre-service test to try out new policies and decision
rules for operating a system.
Disadvantages of Simulation
• Sometimes simulation models are expensive and take a long time to
develop.
• The simulation model does not produce answers by itself.
• It is the trial and error approach that produces different solutions in
repeated runs .
• It does not generate optimal solutions to the problems.
Optimization
• Its objective is to select the best possible decision for a given set of
circumstances without having to enumerate all the possibilities.
• Involves maximization or minimization as desired
• How can a large manufacturing company determine the monthly product mix
at its Indianapolis plant that maximizes corporate profitability?
• Design of civil engineering structures- such as frames, foundations, bridges,
towers, chimneys and dams for the minimum cost.
Components
• Decision variables
• Variables in the model which you have control over
• Objective function
• A function (mathematical model) that quantifies the quality of a solution in an
optimization problem
• Constraints
• Conditions that a solution to an optimization problem must satisfy
• Restrict decision variables by defining relationships among them
• Find the value of the decision variables that maximize(minimize) the
objective function value, while staying within the constraints.
Thank You

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