Chemical Reactor Design and Operation, 2nd EditionISBN: 9780471917304
800 pages
January 1991

Chemical Reactor Design and Operation K. R. Westerterp, W. P. M. van Swaaij and A. A. C. M. Beenackers Chemical Reaction Engineering Laboratories, Twente University of Technology, Enschede, The Netherlands This is a comprehensive handbook on the design and operation of chemical reactors which are vital elements in every manufacturing process. The book offers an introduction to the modern literature and covers in depth the relevant theory of chemical reactors. The theory is illustrated by numerous worked examples typical to chemical reaction engineering practice in research, development, design and operation. The examples range from fine chemicals to large scale production and from water purification to metallurgical processes, commencing with simple homogenous model reactors and then moving to the complicated, multiphase, heterogeneous reactors met with in reality. All the examples are based on the industrial experience of the authors. Much effort is dedicated to the behaviour of reactors in practice and to the capacity, yield and selectivity of the reactor. The book is thoroughly indexed and crossreferenced. This edition will be particularly useful to undergraduate and graduate students studying chemical reactors. Contents Fundamentals of chemical reactor calculations Model reactors: single reactions, isothermal single phase reactor calculations Model reactors: multiple reactions, isothermal single phase reactors Residence time distribution and mixing in continuous flow reactors Influence of micromixing on chemical reactions The role of the heat effect in model reactors Multiphase reactors, single reactions Multiphase reactors, multiple reactions Heat effects in multiphase reactors The authors: The authors have accumulated a long experience both in fine chemicals and in the petrochemicals industry, in Europe as well as abroad. Currently they are jointly responsible for the research work in chemical reaction engineering and process development at Twente University. Several new reactor types and new processes have been developed at their institute and present research interests include gasification, fluidization and gasliquid reactors, threephase reactors, highpressure technology in chemical reaction engineering, thermal behaviour of heterogeneous reactors and computer design and economic evaluation of reaction units and chemical plants.
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Preface to the First Edition
Preface to the Second Edition
Preface to the Student Edition
List of Symbols
Chapter I Fundamentals of chemical reactor calculations
1.1 Introduction
1.2 The material, energy and economic balance
—Material balance
—Energy balance
—Economic balance
1.3 Thermodynamic data: heat of reaction and chemical equilibrium
—Heat of reaction
—Chemical equilibrium
1.4 Conversion rate, chemical reaction rate and chemical reaction rate equations
—Influence of temperature on kinetics
—Influence of concentration on kinetics
1.5 The degree of conversion
—Relation between conversion and concentration expressions
1.6 Selectivity and yield
—Selectivity and yield in a reactor section with recycle of nonconverted reactant
1.7 Classification of chemical reactors
References
Chapter II Model reactors: single reactions, isothermal single phase reactor calculations
II.1 The wellmixed batch reactor
II.2 The continuously operated ideal tubular reactor
II.3 The continuously operated ideal tank reactor
11.4 The cascade of tank reactors
II.5 The semicontinuous tank reactor
II.6 The recycle reactor
II.7 A comparison between the different model reactors
—Batch versus continuous operation
—Tubular reactor versus tank reactor
II.8 Some examples of the influence of reactor design and operation on the economics of the process
—The use of one of the reactants in excess
—Recirculation of unconverted reactant
—Maximum production rate and optimum load with intermittent operation
References
Chapter III Model reactors: multiple reactions, isothermal single phase reactors
III.1 Fundamental concepts
—Differential selectivity and selectivity ratio
—The reaction path
III.2 Parallel reactions
—Parallel reactions with equal order rate equations
—Parallel reactions with differing reaction order rate equations
—A cascade of tank reactors
III.3 The continuous cross flow reactor system
III.4 Consecutive reactions
—First order consecutive reactions in a plug flow reactor
—First order consecutive reactions in a tank reactor
—General discussion
III.5 Combination reactions
—Graphical methods
—Optimum yield in a cascade of tank reactors
—Algebraic methods
III.6 Autocatalytic reactions
—Single biochemical reactions
—Multiple autocatalytic reactions
References
Chapter IV Residence time distribution and mixing in continuous flow reactors
IV.1 The residence time distribution (RTD)
—The E and the F diagram
—The application of the RTD in practice
IV.2 Experimental determination of the residence time distribution
—Input functions
IV.3 Residence time distribution in a continuous plug flow and in a continuous ideally stirred tank reactor.
IV.4 Models for intermediate mixing
—Model of a cascade of N equal ideally mixed tanks
—The axially dispersed plug flow model
IV.5 Conversion in reactors with intermediate mixing
IV.6 Some data on the longitudinal dispersion in continuous flow systems
—Flow through empty tubes
—Packed beds
—Fluidized beds
—Mixing in gasliquid reactors
References
Chapter V Influence of micromixing on chemical reactions
V.1 Nature of the micromixing phenomena
—Macro or gross overall mixing as characterized by the residence time distribution
—The state of aggregation of the reacting fluid
—The earliness of the mixing
V.2 Boundaries to micromixing phenomena
—The model tubular and tank reactors
—Boundaries for micromixing for reactors with arbitrary RTDs
V.3 Intermediate degree of micromixing in continuous stirred tank reactors
—Formal models
—Agglomeration models
—Model for micromixing via exchange of mass between agglomerates and their ‘average’ environment, the IEM model
V.4 Experimental results on micromixing in stirred vessels
V.5 Concluding remarks on micromixing
References
Chapter VI The role of the heat effect in model reactors
VI.1 The energy balance and heat of reaction
VI.2 The wellmixed batch reactor
—Batch versus semibatch operation
VI.3 The tubular reactor with external heat exchange
—Maximum temperature with exothermic reactions; parametric sensitivity
VI.4 The continuous tank reactor with heat exchange
VI.5 Autothermal reactor operation
—The tank reactor
— An adiabatic tubular reactor with heat exchange between reactants and products
—A multitube reactor with internal heat exchange between the reaction mixture and the feed
—Determination of safe operating conditions
VI.6 Maximum permissible reaction temperatures
VI.7 The dynamic behaviour of model reactors
—The autothermal tank reactor
—Tubular reactor
References
Chapter VII Multiphase reactors, single reactions
VII.1 The role of mass transfer
VII.2 A qualitative discussion on mass transfer with homogeneous reaction
—Concentration distribution in the reaction phase
VII.3 General material balance for mass transfer with reaction
VII.4 Mass transfer without reaction
—Stagnant film model
—Penetration models of Higbie and Danckwerts
VII.5 Mass transfer with homogeneous irreversible first order reaction
—Penetration models
—Stagnant film model
—General conclusion on mass transfer with homogeneous irreversible first order reaction
—Applications
VII.6 Mass transfer with homogeneous irreversible reaction of complex kinetics
VII.7 Mass transfer with homogeneous irreversible reaction of order (1.1) with Al » 1
—Slow reaction
—Fast reaction
—Instantaneous reaction
—General approximated solution
VII.8 Mass transfer with irreversible homogeneous reaction of arbitrary kinetics with Al »1
VII.9 Mass transfer with irreversible reaction of order (1, 1) for a small Hinterland coefficient
VII.10 Mass transfer with reversible homogeneous reactions
VII.11 Reaction in a fluidfluid system with simultaneous mass transfer to the nonreaction phase (desorption)
VII.12 The influence of mass transfer on heterogeneous reactions
—Heterogeneous reaction at an external surface
—Reactions in porous solids
VII.13 General criterion for absence of mass transport limitation
VII.14 Heat effects in mass transfer with reaction
—Mass transfer with reaction in series
—Mass transfer with simultaneous reaction in a gasliquid system
—Mass transfer with simultaneous reaction in a porous pellet
VII.15 Model reactors for studying mass transfer with chemical reaction in heterogeneous systems
—Model reactors for gasliquid reactions
—Model reactors for liquidliquid reactions
—Model reactors for fluidsolid reactions.
VII.16 Measurement techniques for mass transfer coefficients and specific contact areas in multiphase reactors
—Measurement of the specific contact area a
—Measurement of the product k_{L}a
—Measurement of the product k_{G}a
—Measurement of mass transfer coefficients k_{L}, k_{G}
VII.17 Numerical values of mass transfer coefficients and specific contact areas in multiphase reactors
—Fluidsolid reactors
—Fluidfluid (solid) reactors
References
Chapter VIII Multiphase reactors, multiple reactions
VIII.1 Introduction
VIII.2 Simultaneous mass transfer of two reactants A and A’ with independent parallel reactions A → P and A’ → X (Type I Selectivity)
—Mass transfer and reaction in series
—Mass transfer and reaction in parallel
VIII.3 Mass transfer of one reactant (A) followed by two dependent parallel reactions
A(+B) → P A(+B,B’) → X
(Type II Selectivity)
—Mass transfer and reaction in series
—Mass transfer and reaction in parallel
VIII.4 Simultaneous mass transfer of two reactants (A and A’) followed by dependent parallel reactions with a third reactant: A + B → P, A’ + B → X
—Complete mass transfer limitation in nonreaction phase
—One reactant mass transfer limited in nonreaction phase
—One reaction instantaneous
—Both reactions instantaneous
—No diffusion limitation of reactant originally present in reaction phase
—More complex systems
VIII.5 Simultaneous mass transfer of two reactants (A and A’) which react with each other
VIII.6 Mass transfer with consecutive reactions A → P → X (Type III Selectivity)
—Mass transfer and reaction in series
—Mass transfer and reaction in parallel
VIII.7 Mass transfer with mixed consecutive parallel reactions
—The system: A(1) → A(2); A(2) + B(2) → P(2); P(2) + B(2) →X(2)
—The system: A(1) → A(2); A(2) + B(2) → P(2); A(2) + P(2) →X(2)
—Complex systems
References
Chapter IX Heat effects in multiphase reactors
IX.1 Gasliquid reactors
—General
—Column reactors
—Bubble column reactors
—Agitated gasliquid reactors
IX.2 Gassolid reactors
—Single particle behaviour
—Catalytic gassolid reactors
—The moving bed gassolid reactor
—Thermal stability and dynamic behaviour of gas solid reactors
IX.3 Gasliquidsolid reactors
References
Chapter X The optimization of chemical reactors
X.1 The object and means of optimization
—The objective function
—The optimization variables
—Relation between technical and economic optima
X.2 Optimization by means of temperature
—The optimization of exothermic equilibrium reactions
—Temperature optimization with complex reaction systems
X.3 Some mathematical methods of optimization
—Geometric programming
—The Lagrange multiplier technique
—Numerical search routines
—Dynamic programming
Pontryagin’s maximum principle
References
Author index
Subject Index
Preface to the Second Edition
Preface to the Student Edition
List of Symbols
Chapter I Fundamentals of chemical reactor calculations
1.1 Introduction
1.2 The material, energy and economic balance
—Material balance
—Energy balance
—Economic balance
1.3 Thermodynamic data: heat of reaction and chemical equilibrium
—Heat of reaction
—Chemical equilibrium
1.4 Conversion rate, chemical reaction rate and chemical reaction rate equations
—Influence of temperature on kinetics
—Influence of concentration on kinetics
1.5 The degree of conversion
—Relation between conversion and concentration expressions
1.6 Selectivity and yield
—Selectivity and yield in a reactor section with recycle of nonconverted reactant
1.7 Classification of chemical reactors
References
Chapter II Model reactors: single reactions, isothermal single phase reactor calculations
II.1 The wellmixed batch reactor
II.2 The continuously operated ideal tubular reactor
II.3 The continuously operated ideal tank reactor
11.4 The cascade of tank reactors
II.5 The semicontinuous tank reactor
II.6 The recycle reactor
II.7 A comparison between the different model reactors
—Batch versus continuous operation
—Tubular reactor versus tank reactor
II.8 Some examples of the influence of reactor design and operation on the economics of the process
—The use of one of the reactants in excess
—Recirculation of unconverted reactant
—Maximum production rate and optimum load with intermittent operation
References
Chapter III Model reactors: multiple reactions, isothermal single phase reactors
III.1 Fundamental concepts
—Differential selectivity and selectivity ratio
—The reaction path
III.2 Parallel reactions
—Parallel reactions with equal order rate equations
—Parallel reactions with differing reaction order rate equations
—A cascade of tank reactors
III.3 The continuous cross flow reactor system
III.4 Consecutive reactions
—First order consecutive reactions in a plug flow reactor
—First order consecutive reactions in a tank reactor
—General discussion
III.5 Combination reactions
—Graphical methods
—Optimum yield in a cascade of tank reactors
—Algebraic methods
III.6 Autocatalytic reactions
—Single biochemical reactions
—Multiple autocatalytic reactions
References
Chapter IV Residence time distribution and mixing in continuous flow reactors
IV.1 The residence time distribution (RTD)
—The E and the F diagram
—The application of the RTD in practice
IV.2 Experimental determination of the residence time distribution
—Input functions
IV.3 Residence time distribution in a continuous plug flow and in a continuous ideally stirred tank reactor.
IV.4 Models for intermediate mixing
—Model of a cascade of N equal ideally mixed tanks
—The axially dispersed plug flow model
IV.5 Conversion in reactors with intermediate mixing
IV.6 Some data on the longitudinal dispersion in continuous flow systems
—Flow through empty tubes
—Packed beds
—Fluidized beds
—Mixing in gasliquid reactors
References
Chapter V Influence of micromixing on chemical reactions
V.1 Nature of the micromixing phenomena
—Macro or gross overall mixing as characterized by the residence time distribution
—The state of aggregation of the reacting fluid
—The earliness of the mixing
V.2 Boundaries to micromixing phenomena
—The model tubular and tank reactors
—Boundaries for micromixing for reactors with arbitrary RTDs
V.3 Intermediate degree of micromixing in continuous stirred tank reactors
—Formal models
—Agglomeration models
—Model for micromixing via exchange of mass between agglomerates and their ‘average’ environment, the IEM model
V.4 Experimental results on micromixing in stirred vessels
V.5 Concluding remarks on micromixing
References
Chapter VI The role of the heat effect in model reactors
VI.1 The energy balance and heat of reaction
VI.2 The wellmixed batch reactor
—Batch versus semibatch operation
VI.3 The tubular reactor with external heat exchange
—Maximum temperature with exothermic reactions; parametric sensitivity
VI.4 The continuous tank reactor with heat exchange
VI.5 Autothermal reactor operation
—The tank reactor
— An adiabatic tubular reactor with heat exchange between reactants and products
—A multitube reactor with internal heat exchange between the reaction mixture and the feed
—Determination of safe operating conditions
VI.6 Maximum permissible reaction temperatures
VI.7 The dynamic behaviour of model reactors
—The autothermal tank reactor
—Tubular reactor
References
Chapter VII Multiphase reactors, single reactions
VII.1 The role of mass transfer
VII.2 A qualitative discussion on mass transfer with homogeneous reaction
—Concentration distribution in the reaction phase
VII.3 General material balance for mass transfer with reaction
VII.4 Mass transfer without reaction
—Stagnant film model
—Penetration models of Higbie and Danckwerts
VII.5 Mass transfer with homogeneous irreversible first order reaction
—Penetration models
—Stagnant film model
—General conclusion on mass transfer with homogeneous irreversible first order reaction
—Applications
VII.6 Mass transfer with homogeneous irreversible reaction of complex kinetics
VII.7 Mass transfer with homogeneous irreversible reaction of order (1.1) with Al » 1
—Slow reaction
—Fast reaction
—Instantaneous reaction
—General approximated solution
VII.8 Mass transfer with irreversible homogeneous reaction of arbitrary kinetics with Al »1
VII.9 Mass transfer with irreversible reaction of order (1, 1) for a small Hinterland coefficient
VII.10 Mass transfer with reversible homogeneous reactions
VII.11 Reaction in a fluidfluid system with simultaneous mass transfer to the nonreaction phase (desorption)
VII.12 The influence of mass transfer on heterogeneous reactions
—Heterogeneous reaction at an external surface
—Reactions in porous solids
VII.13 General criterion for absence of mass transport limitation
VII.14 Heat effects in mass transfer with reaction
—Mass transfer with reaction in series
—Mass transfer with simultaneous reaction in a gasliquid system
—Mass transfer with simultaneous reaction in a porous pellet
VII.15 Model reactors for studying mass transfer with chemical reaction in heterogeneous systems
—Model reactors for gasliquid reactions
—Model reactors for liquidliquid reactions
—Model reactors for fluidsolid reactions.
VII.16 Measurement techniques for mass transfer coefficients and specific contact areas in multiphase reactors
—Measurement of the specific contact area a
—Measurement of the product k_{L}a
—Measurement of the product k_{G}a
—Measurement of mass transfer coefficients k_{L}, k_{G}
VII.17 Numerical values of mass transfer coefficients and specific contact areas in multiphase reactors
—Fluidsolid reactors
—Fluidfluid (solid) reactors
References
Chapter VIII Multiphase reactors, multiple reactions
VIII.1 Introduction
VIII.2 Simultaneous mass transfer of two reactants A and A’ with independent parallel reactions A → P and A’ → X (Type I Selectivity)
—Mass transfer and reaction in series
—Mass transfer and reaction in parallel
VIII.3 Mass transfer of one reactant (A) followed by two dependent parallel reactions
A(+B) → P A(+B,B’) → X
(Type II Selectivity)
—Mass transfer and reaction in series
—Mass transfer and reaction in parallel
VIII.4 Simultaneous mass transfer of two reactants (A and A’) followed by dependent parallel reactions with a third reactant: A + B → P, A’ + B → X
—Complete mass transfer limitation in nonreaction phase
—One reactant mass transfer limited in nonreaction phase
—One reaction instantaneous
—Both reactions instantaneous
—No diffusion limitation of reactant originally present in reaction phase
—More complex systems
VIII.5 Simultaneous mass transfer of two reactants (A and A’) which react with each other
VIII.6 Mass transfer with consecutive reactions A → P → X (Type III Selectivity)
—Mass transfer and reaction in series
—Mass transfer and reaction in parallel
VIII.7 Mass transfer with mixed consecutive parallel reactions
—The system: A(1) → A(2); A(2) + B(2) → P(2); P(2) + B(2) →X(2)
—The system: A(1) → A(2); A(2) + B(2) → P(2); A(2) + P(2) →X(2)
—Complex systems
References
Chapter IX Heat effects in multiphase reactors
IX.1 Gasliquid reactors
—General
—Column reactors
—Bubble column reactors
—Agitated gasliquid reactors
IX.2 Gassolid reactors
—Single particle behaviour
—Catalytic gassolid reactors
—The moving bed gassolid reactor
—Thermal stability and dynamic behaviour of gas solid reactors
IX.3 Gasliquidsolid reactors
References
Chapter X The optimization of chemical reactors
X.1 The object and means of optimization
—The objective function
—The optimization variables
—Relation between technical and economic optima
X.2 Optimization by means of temperature
—The optimization of exothermic equilibrium reactions
—Temperature optimization with complex reaction systems
X.3 Some mathematical methods of optimization
—Geometric programming
—The Lagrange multiplier technique
—Numerical search routines
—Dynamic programming
Pontryagin’s maximum principle
References
Author index
Subject Index
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