Chemical Reaction Engineering: Beyond the Fundamentals, 1st Edition (Hardback) book cover

Chemical Reaction Engineering

Beyond the Fundamentals, 1st Edition

By L.K. Doraiswamy, Deniz Uner

CRC Press

578 pages | 182 B/W Illus.

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Hardback: 9781439831229
pub: 2013-07-15
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Filling a longstanding gap for graduate courses in the field, Chemical Reaction Engineering: Beyond the Fundamentals covers basic concepts as well as complexities of chemical reaction engineering, including novel techniques for process intensification. The book is divided into three parts: Fundamentals Revisited, Building on Fundamentals, and Beyond the Fundamentals. Part I: Fundamentals Revisited reviews the salient features of an undergraduate course, introducing concepts essential to reactor design, such as mixing, unsteady-state operations, multiple steady states, and complex reactions.

Part II: Building on Fundamentals is devoted to "skill building," particularly in the area of catalysis and catalytic reactions. It covers chemical thermodynamics, emphasizing the thermodynamics of adsorption and complex reactions; the fundamentals of chemical kinetics, with special emphasis on microkinetic analysis; and heat and mass transfer effects in catalysis, including transport between phases, transfer across interfaces, and effects of external heat and mass transfer. It also contains a chapter that provides readers with tools for making accurate kinetic measurements and analyzing the data obtained.

Part III: Beyond the Fundamentals presents material not commonly covered in textbooks, addressing aspects of reactors involving more than one phase. It discusses solid catalyzed fluid-phase reactions in fixed-bed and fluidized-bed reactors, gas–solid noncatalytic reactions, reactions involving at least one liquid phase (gas–liquid and liquid–liquid), and multiphase reactions. This section also describes membrane-assisted reactor engineering, combo reactors, homogeneous catalysis, and phase-transfer catalysis. The final chapter provides a perspective on future trends in reaction engineering.

Table of Contents

Part I Fundamentals Revisited

Reactions and reactors: Basic concepts

Chapter objectives


Reaction rates

Stoichiometry of the rate equation

Multiple steady states



Explore Yourself

Complex reactions and reactors

Chapter objectives


Reduction of complex reactions

Rate equations

Selectivity and yield

Yield versus number of steps

Reactor design for complex reactions

Reactor choice for maximizing yields/selectivities

Plug-flow reactor with recycle

Semibatch reactors

Optimum temperatures/temperature profiles for maximizing yields/selectivities



Explore Yourself

Interlude I

Reactive distillation

Membrane reactors

Phase transfer catalysis


Nonideal reactor analysis

Chapter objectives


Two limits of the ideal reactor

Nonidealities defined with respect to the ideal reactors

Residence time distribution

Concept of mixing

Turbulent mixing models

Practical implications of mixing in chemical Synthesis



Explore Yourself

Interlude II

Limits of mean field theory

The predator–prey problem or surface mixing

Mixing problem addressed


Part II Building on Fundamentals


The different tools of the trade

Rates and equilibria: The thermodynamic and extrathermodynamic approaches

Chapter objectives


Basic thermodynamic relationships and properties

Thermodynamics of reactions in solution

Extrathermodynamic approach

Extrathermodynamic relationships between rate and equilibrium parameters

Thermodynamics of adsorption




Explore Yourself

Interlude III

Reactor design for thermodynamically limited reactions


Theory of chemical kinetics in the bulk and on the surface

Chapter objectives

Chemical kinetics

Collision theory

Transition state theory

Proposing a kinetic model

Brief excursion for the classification of surface reaction mechanisms

Microkinetic analysis



Explore Yourself

Reactions with an interface: Mass and heat transfer effects

Chapter objectives


Transport between phases

Mass transfer across interfaces: Fundamentals

Solid catalyzed fluid reactions

Noncatalytic gas–solid reactions

Gas–liquid reactions in a slab

Effect of external mass and heat transfer

Regimes of control


Explore Yourself

Laboratory reactors: Collection and analysis of the data

Chapter objectives

Chemical reaction tests in a laboratory

A perspective on statistical experimental design

Batch laboratory reactors

Rate parameters from batch reactor data

Flow reactors for testing gas–solid catalytic reactions

The transport disguises in perspective

Analyzing the data


Explore Yourself

Part III Beyond the Fundamentals



The different tools of the trade

Process intensification


Fixed-bed reactor design for solid catalyzed fluid-phase reactions

Chapter objectives


Nonisothermal, nonadiabatic, and adiabatic reactors

Adiabatic reactor

Choice between NINA-PBR and A-PBR

Alternative fixed-bed designs



Explore Yourself

Fluidized-bed reactor design for solid catalyzed fluid-phase reactions

Chapter objectives

General comments

Fluidization: Some basics

Two-phase theory of fluidization

Geldart’s classification

Bubbling bed model of fluidized-bed reactors

Solids distribution

Calculation of conversion

Strategies to improve fluid-bed reactor performance

Extension to other regimes of fluidization types of reactors

Deactivation control

Some practical considerations

Fluidized-bed versus fixed-bed reactors


Explore Yourself

Gas–solid noncatalytic reactions and reactors

Chapter objectives


Modeling of gas–solid reactions

Extensions to the basic models

Models that account for structural variations

A general model that can be reduced to specific ones

Gas–solid noncatalytic reactors


Gas–liquid and liquid–liquid reactions and reactors

Chapter objectives


Diffusion accompanied by an irreversible reaction of general order

Measurement of mass transfer coefficients

Reactor design

A generalized form of equation for all regimes

Classification of gas–liquid contactors

Reactor design for gas–liquid reactions

Reactor choice

Liquid–liquid contactors

Stirred tank reactor: Some practical considerations


Multiphase reactions and reactors

Chapter objectives


Design of three-phase catalytic reactors

Types of three-phase reactors

Loop slurry reactors

Collection and interpretation of laboratory data for three-phase catalytic reactions

Three-phase noncatalytic reactions



Membrane-assisted reactor engineering


General considerations

Modeling of membrane reactors

Operational features

Comparison of reactors

Examples of the use of membrane reactors in organic technology/synthesis


Combo reactors: Distillation column Reactors

Distillation column reactor

Enhancing role of distillation: Basic principle

Overall effectiveness factor in a packed DCR



Homogeneous catalysis


Formalisms in transition metal catalysis

Operational scheme of homogeneous catalysis

Basic reactions of homogeneous catalysis

Main features of transition metal catalysis in organic synthesis: A summary

A typical class of industrial reactions: Hydrogenation

General kinetic analysis


Phase-transfer catalysis


Fundamentals of PTC

Mechanism of PTC

Modeling of PTC reactions

"Cascade engineered" PTC process


Forefront of the chemical reaction engineering field



Resource economy

Energy economy

Chemical reaction engineer in the twenty-first century

In Closing


About the Authors


L. K. Doraiswamy was the Anson Marston Distinguished Professor in Engineering in the Department of Chemical and Biological Engineering at Iowa State University. He published a 950-page treatise on the application of chemical reaction engineering principles to organic synthesis, introducing the new field of organic synthesis engineering. He was the recipient of over 30 international honors and awards in recognition of his contributions to chemical engineering including the Padma Bhushan of the Government of India and election to the U.S. National Academy of Engineering.

Deniz Uner is the chair of the Department of Chemical Engineering of the Middle East Technical University, in Ankara, Turkey, and the founding president of the Catalysis Society of Turkey. Her active research area is at the intersection of catalysis, chemical reaction engineering, and thermodynamics. Her present research is focused on energy-efficient chemical conversions, and storage of solar and thermal energy in chemical bonds. She teaches graduate- and undergraduate-level courses in Chemical Reaction Engineering and Thermodynamics.

Subject Categories

BISAC Subject Codes/Headings:
SCIENCE / Chemistry / Industrial & Technical