0 Optimization of Chemical Processes.pdf

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Optimization of

Chemical Processes

Cheng-Liang ChenPSELABORATORY

Department of Chemical EngineeringNational TAIWAN University


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Chen CL 1

Optimization of Chemical Processes (cont.)

The chemical industry has undergone significant changes duringthe past 25 years due to the

increased cost of energy,

increasingly stringent environmental regulations, and

global competition in product pricing and quality

One of the most important engineering tools for addressing these

issues is optimization

Modifications in plant design and operating procedures havebeen implemented to reduce costs and meet constraints, with

an emphasis on improving efficiencyand increasing profitability

Optimal operating conditionscan be implemented via increasedautomation at the process, plant, and company levels


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Chen CL 4

Contents of Arora (cont.)

Introduction to Optimum Design Conventional versus Optimum Design Processes Role of Computers in Optimum Design Basic Terminology and Notations

Optimum Design Problem Formulation

Design Variables, Cost Function, and Design Constraints Examples of Optimum Design Problem Formulation

Optimum Design Concepts

Fundamental Concepts

Unconstrained Optimum Design Problems Constrained Optimum Design Problems Global Optimality Post-optimality Analysis

C C


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Chen CL 5


Linear Programming Definition of Standard LP Problems Basic Concepts Related to LP Problems The Simplex Method Initial Basic Feasible Solution Artificial Variables Post-optimality Analysis

Numerical Methods for Unconstrained Optimization

General Concepts Related to Numerical Algorithms One-dimensional Minimization Steepest Descent Method

Conjugate Gradient Method Newtons Method Quasi-Newton Methods

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Chen CL 6


Numerical Methods for Constrained Optimization Basic Concepts and Ideas Sequential Unconstrained Optimization Algorithm Linearization of Constrained Problem

Sequential Linear Programming AlgorithmsQuadratic Programming Subproblem

Constrained Steepest Descent Method Constrained Quasi-Newton Methods

Interactive Design Optimization

Practical Design Optimization

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Chen CL 7

Contents of Floudas (cont.) Introduction

Mathematical and Optimization Models Structure of Nonlinear and Mixed-Integer Optimization Models Illustrative Applications

Part 1: Fundamentals of Convex Analysis and Nonlinear

Optimization

Convex Analysis

Convex Sets Convex and Concave Functions

Fundamentals of Nonlinear Optimization

Unconstrained Nonlinear Optimization Constrained Nonlinear Optimization

Duality Theory

Primal Problem

Dual Problem

Ch CL 8


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Chen CL 8

Contents of Floudas (cont.)

Part 2: Fundamentals of Mixed-Integer Optimization Mixed-Integer Linear Optimization

Motivation and Formulation Branch and Bound Method

Mixed-Integer Nonlinear Optimization Motivation and Formulation Generalized Benders Decomposition (GBD) Outer Approximations (OA)

Outer Approximations with Equality Relaxation (OA/ER)

Outer Approximations with Equality Relaxation and Augmented Penalty(OA/ER/AP)

Generalized Outer Approximations (GOA) Generalized Cross Decomposition (GCD)

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Chen CL 9

Contents of Floudas (cont.)

Part 3: Applications in Process Synthesis Process Synthesis

Difficulties/Challenges in Process Synthesis Optimization Approach in Process Synthesis

Heat Exchanger Network Synthesis

Distillation-based Separation Systems Synthesis

Synthesis of Reactor Networks and Reactor-Separator-

Recycle Systems

Chen CL 10


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Chen CL 10

Contents of Floudas Global Optimization

Introduction; Basic concepts of Global Optimization

The BB Box Constrained Twice-diff. NLPs: Theory

The BB Constrained Twice-diff. NLPs: Theory

Computational Studies of The BB Approach

Introduction to Nonlinear and Mixed-integer Optimization

The SMIN-BB Approach: Theory and Computations

The GMIN-BB Approach: Theory and Computations

Chen CL 11


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Chen CL 11

Contents of Edgar (cont.)I Problem Formulation

The Nature and Organization of Optimization Problems Developing Models for Optimization

Formulation of the Objective Function

II Optimization Theory and Methods

Basic Concepts of Optimization Optimization of Unconstrained Functions: One-Dimensional

Search

Unconstrained Multi-variable Optimization

Linear Programming and Applications

Nonlinear Programming with Constraints

Mixed-Integer Programming

Global Optimization for Problems with Continuous andDiscrete Variables

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Chen CL 12

Contents of Edgar (cont.)

III Applications of Optimization

Hear Transfer and Energy Conservation

Separation Processes

Fluid Flow Systems

Chemical Reactor Design and Operation

Optimization in Large-Scale Plant Design and Operations

Integrated Planning, Scheduling, and Control in the ProcessIndustries

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Chen CL 13

Contents of Biegler (cont.)

Introduction to Process DesignI Preliminary Analysis and Evaluation of Processes

Overview of Flowsheet Synthesis

Mass and Energy Balances

Equipment Sizing and Costing

Economic Evaluation

Dsign and Scheduling of Batch Processes

II Analysis with Rigorous Process Models

Unit Equation Models

General Concepts of Simulation for Process Design

Process Flowsheet Optimization


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Chen CL 15


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Chen CL 15

Contents of Biegler (cont.)

IV Optimization Approaches to Process Synthesis

Basic Concepts for Algorithmic Methods

Synthesis of Heat Exchange Networks

Synthesis of Distillation Sequences

Simultaneous Optimization and Heat Integration

Optimization Techniques for Reactor Network Syntheses

Structural Optimization of Process Flowsheets Process Flexibility

Optimal Design and Scheduling for Multiproduct Batch

Plants

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Chen CL 16

Contents of Smith (cont.)

The Nature of Chemical Process Design and Integration Process Economics

Optimization

Thermodynamic Properties and Phase Equilibrium

Choice of Reactor I Reactor Performance

Choice of Reactor II Reactor Conditions

Choice of Reactor III Reactor configuration

Choice of Separator for Heterogeneous Mixtures

Choice of Separator for Homogeneous Fluid Mixtures I Distillation

Choice of Separator for Homogeneous Fluid Mixtures II Other Methods

Distillation Sequencing

Distillation Sequencing for Azeotropic Distillation

Reaction, Separation and Recycle Systems for Continuous Processes

Reaction, Separation and Recycle Systems for Batch Processes

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Chen CL 17

Contents of Smith (cont.)

Heat Exchanger Networks I Heat Transfer Equipment

Heat Exchanger Networks II Energy Targets

Heat Exchanger Networks III Capital and Total Cost Targets

Heat Exchanger Networks IV Network Design

Heat Exchanger Networks V Stream Data

Heat Integration of Reactors

Heat Integration of Distillation Columns

Heat Integration of Evaporators and Dryers

Steam Systems and Cogeneration

Cooling and Refrigeration Environmental Design for Atmospheric Emissions

Water System Design

Inherent Safety

Clean Process Technology

Overall Strategy for Chemical Process Design and Integration

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Chen CL 18

Case Studies Using GAMS (cont.)

Refinery Scheduling Production Planning in Multi-purpose Batch Plants

LP Model for Minimizing Utility Cost in A Heat Exchanger Network

Logical Inference for Reaction Path Synthesis

Design of A Chemical Complex Multi-product Batch Plant Scheduling

Multi-period MILP Model for Planning of Chemical Complexes

Power Generation via Fuel Oil

Alkylation Process Optimization Chemical Equilibrium

Multi-Component Phase Equilibrium

Global Optimum Search in Heat Exchanger Network Configurations

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Chen CL 19

Case Studies Using GAMS (cont.)

Optimal Selection of Processes Optimal Design of Multi-product Batch Plants

Simultaneous Optimization Model for Heat Exchanger Network Synthesis

Heat Integrated Distillation Sequences

Non-sharp Distillation Synthesis Optimum Feed Plate Location

Minimum Time to Cover A Fixed Distance

Catalyst Mixing for Packed Bed Reactor

Parameter Estimation for A Simple Batch Reactor System

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Chen CL 20

Course OutlinesArora Floudas/Biegler Edgar MATLAB GAMS

Int to Optimum Design Problems

Problem Formulation Math and Opt Models ModelsOptimum DesignConcepts

Convex Analysis;

Fundamentals of Nonlinear Opt;

Duality Theory

Linear Programming ** * ***

MILP; Logical Constraints * ****

Num. Unconst. Opt. * ** *

Num. Const. Opt. * ** **

MINLP; Process Synthesis * ***

Global Optimization

Some Special Topics: Smith

Synthesis of Heat/Mass Exchanger Networks (include Pinch Analysis)

Synthesis of Water Networks, Cooling Water Networks

Batch Scheduling; Supply Chain Management; . . .

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Credits

5 8 Homeworks (40%)

Mid-term Examination (25%)

Final Examination (25%)

Oral Presentation of Assigned Materials (10%)

Documents

0 Optimization of Chemical Processes.pdf