1st Edition

Chemical Reaction Engineering Beyond the Fundamentals

By L.K. Doraiswamy, Deniz Uner Copyright 2014
    578 Pages 182 B/W Illustrations
    by CRC Press

    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.

    Part I Fundamentals Revisited

    Reactions and reactors: Basic concepts
    Chapter objectives
    Introduction
    Reaction rates
    Stoichiometry of the rate equation
    Multiple steady states
    References
    Bibliography
    Explore Yourself

    Complex reactions and reactors
    Chapter objectives
    Introduction
    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
    References
    Bibliography
    Explore Yourself

    Interlude I
    Reactive distillation
    Membrane reactors
    Phase transfer catalysis
    References

    Nonideal reactor analysis
    Chapter objectives
    Introduction
    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
    References
    Bibliography
    Explore Yourself

    Interlude II
    Limits of mean field theory
    The predator–prey problem or surface mixing
    Mixing problem addressed
    References

    Part II Building on Fundamentals

    Introduction
    The different tools of the trade

    Rates and equilibria: The thermodynamic and extrathermodynamic approaches
    Chapter objectives
    Introduction
    Basic thermodynamic relationships and properties
    Thermodynamics of reactions in solution
    Extrathermodynamic approach
    Extrathermodynamic relationships between rate and equilibrium parameters
    Thermodynamics of adsorption
    Appendix
    References
    Bibliography
    Explore Yourself

    Interlude III
    Reactor design for thermodynamically limited reactions
    References

    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
    References
    Bibliography
    Explore Yourself

    Reactions with an interface: Mass and heat transfer effects
    Chapter objectives
    Introduction
    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
    References
    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
    References
    Explore Yourself

    Part III Beyond the Fundamentals

    Objectives
    Introduction
    The different tools of the trade
    Process intensification
    References

    Fixed-bed reactor design for solid catalyzed fluid-phase reactions
    Chapter objectives
    Introduction
    Nonisothermal, nonadiabatic, and adiabatic reactors
    Adiabatic reactor
    Choice between NINA-PBR and A-PBR
    Alternative fixed-bed designs
    References
    Bibliography
    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
    References
    Explore Yourself

    Gas–solid noncatalytic reactions and reactors
    Chapter objectives
    Introduction
    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
    References

    Gas–liquid and liquid–liquid reactions and reactors
    Chapter objectives
    Introduction
    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
    References

    Multiphase reactions and reactors
    Chapter objectives
    Introduction
    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
    References
    Bibliography

    Membrane-assisted reactor engineering
    Introduction
    General considerations
    Modeling of membrane reactors
    Operational features
    Comparison of reactors
    Examples of the use of membrane reactors in organic technology/synthesis
    References

    Combo reactors: Distillation column Reactors
    Distillation column reactor
    Enhancing role of distillation: Basic principle
    Overall effectiveness factor in a packed DCR
    Distillation–reaction
    References

    Homogeneous catalysis
    Introduction
    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
    References

    Phase-transfer catalysis
    Introduction
    Fundamentals of PTC
    Mechanism of PTC
    Modeling of PTC reactions
    "Cascade engineered" PTC process
    References

    Forefront of the chemical reaction engineering field
    Objective
    Introduction
    Resource economy
    Energy economy
    Chemical reaction engineer in the twenty-first century
    In Closing

    Index

    Biography

    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.