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Chemical Process Design (Computer-Aided Case Studies): Alexandre Dimian & Costin Sorin Baldea

Chemical Process Design (Computer-Aided Case Studies)(DOWNLOAD HERE / DESCARGAR AQUI)
Alexandre Dimian & Costin Sorin Baldea

Contents/Contenido

1 Integrated Process Design
1.1 Motivation and Objectives
1.1.1 Innovation Through a Systematic Approach
1.1.2 Learning by Case Studies
1.1.3 Design Project
1.2 Sustainable Process Design
1.2.1 Sustainable Development
1.2.2 Concepts of Environmental Protection
1.2.2.1 Production-Integrated Environmental Protection
1.2.2.2 End-of-pipe Antipollution Measures
1.2.3 Effi ciency of Raw Materials
1.2.4 Metrics for Sustainability
1.3 Integrated Process Design
1.3.1 Economic Incentives
1.3.2 Process Synthesis and Process Integration
1.3.3 Systematic Methods
1.3.3.1 Hierarchical Approach
1.3.3.2 Pinch-Point Analysis
1.3.3.3 Residue Curve Maps
1.3.3.4 Superstructure Optimization
1.3.3.5 Controllability Analysis
1.3.4 Life Cycle of a Design Project
1.4 Summary
References
2 Process Synthesis by Hierarchical Approach
2.1 Hierarchical Approach of Process Design
2.2 Basis of Design
2.2.1 Economic Data
2.2.2 Plant and Site Data
2.2.3 Safety and Health Considerations
2.2.4 Patents
2.3 Chemistry and Thermodynamics
2.3.1 Chemical-Reaction Network
2.3.2 Chemical Equilibrium
2.3.3 Reaction Engineering Data
2.3.4 Thermodynamic Analysis
2.4 Input/Output Analysis
2.4.1 Input/Output Structure
2.4.1.1 Number of Outlet Streams
2.4.1.2 Design Variables
2.4.2 Overall Material Balance
2.4.3 Economic Potential
2.5 Reactor/Separation/Recycle Structure
2.5.1 Material-Balance Envelope
2.5.1.1 Excess of Reactant
2.5.2 Nonlinear Behavior of Recycle Systems
2.5.2.1 Inventory of Reactants and Make-up Strategies
2.5.2.2 Snowball Effects
2.5.2.3 Multiple Steady States
2.5.2.4 Minimum Reactor Volume
2.5.2.5 Control of Selectivity
2.5.3 Reactor Selection
2.5.3.1 Reactors for Homogeneous Systems
2.5.3.2 Reactors for Heterogeneous Systems
2.5.4 Reactor-Design Issues
2.5.4.1 Heat Effects
2.5.4.2 Equilibrium Limitations
2.5.4.3 Heat-Integrated Reactors
2.5.4.4 Economic Aspects
2.6 Separation System Design
2.6.1 First Separation Step
2.6.1.1 Gas/Liquid Systems
2.6.1.2 Gas/Liquid/Solid Systems
2.6.2 Superstructure of the Separation System
2.7 Optimization of Material Balance
2.8 Process Integration
2.8.1 Pinch-Point Analysis
2.8.1.1 The Overall Approach
2.8.2 Optimal Use of Resources
2.9 Integration of Design and Control
2.10 Summary
References
3 Synthesis of Separation System
3.1 Methodology
3.2 Vapor Recovery and Gas-Separation System
3.2.1 Separation Methods
3.2.2 Split Sequencing
3.3 Liquid-Separation System
3.3.1 Separation Methods
3.3.2 Split Sequencing
3.4 Separation of Zeotropic Mixtures by Distillation
3.4.1 Alternative Separation Sequences
3.4.2 Heuristics for Sequencing
3.4.3 Complex Columns
3.4.4 Sequence Optimization
3.5 Enhanced Distillation
3.5.1 Extractive Distillation
3.5.2 Chemically Enhanced Distillation
3.5.3 Pressure-Swing Distillation
3.6 Hybrid Separations
3.7 Azeotropic Distillation
3.7.1 Residue Curve Maps
3.7.2 Separation by Homogeneous Azeotropic Distillation
3.7.2.1 One Distillation Field
3.7.2.2 Separation in Two Distillation Fields
3.7.3 Separation by Heterogeneous Azeotropic Distillation
3.7.4 Design Methods
3.8 Reactive Separations
3.8.1 Conceptual Design of Reactive Distillation Columns
3.9 Summary
References
4 Reactor/Separation/Recycle Systems
4.1 Introduction
4.2 Plantwide Control Structures
4.3 Processes Involving One Reactant
4.3.1 Conventional Control Structure
4.3.2 Feasibility Condition for the Conventional Control Structure
4.3.3 Control Structures Fixing Reactor-Inlet Stream
4.3.4 Plug-Flow Reactor
4.4 Processes Involving Two Reactants
4.4.1 Two Recycles
4.4.2 One Recycle
4.5 The Effect of the Heat of Reaction
4.5.1 One-Reactant, First-Order Reaction in PFR/Separation/Recycle Systems
4.6 Example – Toluene Hydrodealkylation Process
4.7 Conclusions
References
5 Phenol Hydrogenation to Cyclohexanone
5.1 Basis of Design
5.1.1 Project Defi nition
5.1.2 Chemical Routes
5.1.3 Physical Properties
5.2 Chemical Reaction Analysis
5.2.1 Chemical Reaction Network
5.2.2 Chemical Equilibrium
5.2.2.1 Hydrogenation of Phenol
5.2.2.2 Dehydrogenation of Cyclohexanol
5.2.3 Kinetics
5.2.3.1 Phenol Hydrogenation to Cyclohexanone
5.2.3.2 Cyclohexanol Dehydrogenation
5.3 Thermodynamic Analysis
5.4 Input/Output Structure
5.5 Reactor/Separation/Recycle Structure
5.5.1 Phenol Hydrogenation
5.5.1.1 Reactor-Design Issues
5.5.2 Dehydrogenation of Cyclohexanol
5.5.2.1 Reactor Design
5.6 Separation System
5.7 Material-Balance Flowsheet
5.7.1 Simulation
5.7.2 Sizing and Optimization
5.8 Energy Integration
5.9 One-Reactor Process
5.10 Process Dynamics and Control
5.10.1 Control Objectives
5.10.2 Plantwide Control
5.11 Environmental Impact
5.12 Conclusions
References
6 Alkylation of Benzene by Propylene to Cumene
6.1 Basis of Design
6.1.1 Project Definition
6.1.2 Manufacturing Routes
6.1.3 Physical Properties
6.2 Reaction-Engineering Analysis
6.2.1 Chemical-Reaction Network
6.2.2 Catalysts for the Alkylation of Aromatics
6.2.3 Thermal Effects
6.2.4 Chemical Equilibrium
6.2.5 Kinetics
6.3 Reactor/Separator/Recycle Structure
6.4 Mass Balance and Simulation
6.5 Energy Integration
6.6 Complete Process Flowsheet
6.7 Reactive Distillation Process
6.8 Conclusions
References
7 Vinyl Chloride Monomer Process
7.1 Basis of Design
7.1.1 Problem Statement
7.1.2 Health and Safety
7.1.3 Economic Indices
7.2 Reactions and Thermodynamics
7.2.1 Process Steps
7.2.2 Physical Properties
7.3 Chemical-Reaction Analysis
7.3.1 Direct Chlorination
7.3.2 Oxychlorination
7.3.3 Thermal Cracking
7.4 Reactor Simulation
7.4.1 Ethylene Chlorination
7.4.2 Pyrolysis of EDC
7.5 Separation System
7.5.1 First Separation Step
7.5.2 Liquid-Separation System
7.6 Material-Balance Simulation
7.7 Energy Integration
7.8 Dynamic Simulation and Plantwide Control
7.9 Plantwide Control of Impurities
7.10 Conclusions
References
8 Fatty-Ester Synthesis by Catalytic Distillation
8.1 Introduction
8.2 Methodology
8.3 Esterifi cation of Lauric Acid with 2-Ethylhexanol
8.3.1 Problem Defi nition and Data Generation
8.3.2 Preliminary Chemical and Phase Equilibrium
8.3.3 Equilibrium-based Design
8.3.4 Thermodynamic Experiments
8.3.5 Revised Conceptual Design
8.3.6 Chemical Kinetics Analysis
8.3.6.1 Kinetic Experiments
8.3.6.2 Selectivity Issues
8.3.6.3 Catalyst Effectiveness
8.3.7 Kinetic Design
8.3.7.1 Selection of Internals
8.3.7.2 Preliminary Hydraulic Design
8.3.7.3 Simulation
8.3.8 Optimization
8.3.9 Detailed Design
8.4 Esterifi cation of Lauric Acid with Methanol
8.5 Esterifi cation of Lauric Acid with Propanols
8.5.1 Entrainer Selection
8.5.2 Entrainer Ratio
8.6 Conclusions
References
9 Isobutane Alkylation
9.1 Introduction
9.2 Basis of Design
9.2.1 Industrial Processes for Isobutane Alkylation
9.2.2 Specifi cations and Safety
9.2.3 Chemistry
9.2.4 Physical Properties
9.2.5 Reaction Kinetics
9.3 Input–Output Structure
9.4 Reactor/Separation/Recycle
9.4.1 Mass-Balance Equations
9.4.2 Selection of a Robust Operating Point
9.4.3 Normal-Space Approach
9.4.3.1 Critical Manifolds
9.4.3.2 Distance to the Critical Manifold
9.4.3.3 Optimization
9.4.4 Thermal Design of the Chemical Reactor
9.5 Separation Section
9.6 Plantwide Control and Dynamic Simulation
9.7 Discussion
9.8 Conclusions
References
10 Vinyl Acetate Monomer Process
10.1 Basis of Design
10.1.1 Manufacturing Routes
10.1.2 Problem Statement
10.1.3 Health and Safety
10.2 Reactions and Thermodynamics
10.2.1 Reaction Kinetics
10.2.2 Physical Properties
10.2.3 VLE of Key Mixtures
10.3 Input–Output Analysis
10.3.1 Preliminary Material Balance
10.4 Reactor/Separation/Recycles
10.5 Separation System
10.5.1 First Separation Step
10.5.2 Gas-Separation System
10.5.3 Liquid-Separation System
10.6 Material-Balance Simulation
10.7 Energy Integration
10.8 Plantwide Control
10.9 Conclusions
References
11 Acrylonitrile by Propene Ammoxidation
11.1 Problem Description
11.2 Reactions and Thermodynamics
11.2.1 Chemistry Issues
11.2.2 Physical Properties
11.2.3 VLE of Key Mixtures
11.3 Chemical-Reactor Analysis
11.4 The First Separation Step
11.5 Liquid-Separation System
11.5.1 Development of the Separation Sequence
11.5.2 Simulation
11.6 Heat Integration
11.7 Water Minimization
11.8 Emissions and Waste
11.8.1 Air Emissions
11.8.2 Water Emissions
11.8.3 Catalyst Waste
11.9 Final Flowsheet
11.10 Further Developments
11.11 Conclusions
References
12 Biochemcial Process for NOx Removal
12.1 Introduction
12.2 Basis of Design
12.3 Process Selection
12.4 The Mathematical Model
12.4.1 Diffusion-Reaction in the Film Region
12.4.1.1 Model Parameters
12.4.2 Simplified Film Model
12.4.3 Convection-Mass-Transfer Reaction in the Bulk
12.4.3.1 Bulk Gas
12.4.3.2 Bulk Liquid
12.4.4 The Bioreactor
12.5 Sizing of the Absorber and Bioreactor
12.6 Flowsheet and Process Control
12.7 Conclusions
References
13 PVC Manufacturing by Suspension Polymerization
13.1 Introduction
13.1.1 Scope
13.1.2 Economic Issues
13.1.3 Technology
13.2 Large-Scale Reactor Technology
13.2.1 Effi cient Heat Transfer
13.2.2 The Mixing Systems
13.2.3 Fast Initiation Systems
13.3 Kinetics of Polymerization
13.3.1 Simplifi ed Analysis
13.4 Molecular-Weight Distribution
13.4.1 Simplifi ed Analysis
13.5 Kinetic Constants
13.6 Reactor Design
13.6.1 Mass Balance
13.6.2 Molecular-Weight Distribution
13.6.3 Heat Balance
13.6.4 Heat-Transfer Coefficients
13.6.5 Physical Properties
13.6.6 Geometry of the Reactor
13.6.7 The Control System
13.7 Design of the Reactor
13.7.1 Additional Cooling Capacity by Means of an External Heat Exchanger
13.7.2 Additional Cooling Capacity by Means of Higher Heat-Transfer Coefficient
13.7.3 Design of the Jacket
13.7.4 Dynamic Simulation Results
13.7.5 Additional Cooling Capacity by Means of Water Addition
13.7.6 Improving the Controllability of the Reactor by Recipe Change
13.8 Conclusions
References
14 Biodiesel Manufacturing
14.1 Introduction to Biofuels
14.1.1 Types of Alternative Fuels
14.1.2 Economic Aspects
14.2 Fundamentals of Biodiesel Manufacturing
14.2.1 Chemistry
14.2.2 Raw Materials
14.2.3 Biodiesel Specifications
14.2.4 Physical Properties
14.3 Manufacturing Processes
14.3.1 Batch Processes
14.3.2 Catalytic Continuous Processes
14.3.3 Supercritical Processes
14.3.4 Hydrolysis and Esterification
14.3.5 Enzymatic Processes
14.3.6 Hydropyrolysis of Triglycerides
14.3.7 Valorization of Glycerol
14.4 Kinetics and Catalysis
14.4.1 Homogeneous Catalysis
14.4.2 Heterogeneous Catalysis
14.5 Reaction-Engineering Issues
14.6 Phase-Separation Issues
14.7 Application
14.8 Conclusions
References
15 Bioethanol Manufacturing
15.1 Introduction
15.2 Bioethanol as Fuel
15.3 Economic Aspects
15.4 Ecological Aspects
15.5 Raw Materials
15.6 Biorefinery Concept
15.6.1 Technology Platforms
15.6.2 Building Blocks
15.7 Fermentation
15.7.1 Fermentation by Yeasts
15.7.2 Fermentation by Bacteria
15.7.3 Simultaneous Saccharification and Fermentation
15.7.4 Kinetics of Saccharification Processes
15.7.5 Fermentation Reactors
15.8 Manufacturing Technologies
15.8.1 Bioethanol from Sugar Cane and Sugar Beets
15.8.2 Bioethanol from Starch
15.8.3 Bioethanol from Lignocellulosic Biomass
15.9 Process Design: Ethanol from Lignocellulosic Biomass
15.9.1 Problem Definition
15.9.2 Definition of the Chemical Components
15.9.3 Biomass Pretreatment
15.9.4 Fermentation
15.9.5 Ethanol Purifi cation and Water Recovery
15.10 Conclusions
References
Appendix A Residue Curve Maps for Reactive Mixtures
Appendix B Heat-Exchanger Design
Appendix C Materials of Construction
Appendix D Saturated Steam Properties
Appendix E Vapor Pressure of Some Hydrocarbons
Appendix F Vapor Pressure of Some Organic Components
Appendix G Conversion Factors to SI Units

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