Fundamentals of Reaction Engineering

The fundamentals of reaction engineering book covers the basic elements of chemical reactor design. Material and energy balances have been derived assuming simple flow patterns: perfect mixing and plug flow. Non-ideal flow is briefly discussed. Exothermic-reversible reactions have been discussed in the context of staged reactor systems. Heat and mass transfer to/from catalyst pellets has been introduced, emphasizing the formulation of global reaction rate expressions. Several different ways of modelling fixed bed catalytic reactors has been described. A companion volume presents worked examples.

FUNDAMENTALS OF REACTION ENGINEERING BOOK
CHAPTER 1: INTRODUCTION TO CHEMICAL REACTOR DESIGN
1.1 Introduction
1.2 General mass balance for isothermal chemical reactors
1.3 Mass balances for isothermal batch reactors
1.4 Continuous operation: Tubular reactors & the plug fl ow assumption
1.4.1 Integration of the tubular reactor mass balance equation (plug fl ow assumption)
1.4.2 Volume Change Upon Reaction in Isothermal Tubular Reactors
1.5 Continuous operation: Continuous stirred tank reactors & the perfect mixing assumption
1.5.1 CSTR design with volume change upon reaction
1.5.2 Comparison of plug fl ow and CSTR reactors
1.6 CSTR reactors in cascade
1.7 The start-up/shutdown problem for a CSTR normally operating at steady state

CHAPTER 2: REACTOR DESIGN FOR MULTIPLE REACTIONS
2.1 Consecutive and parallel reactions
2.2 Simple Consecutive reactions: Applications to reactor types
2.2.1 Isothermal batch reactors
2.2.2 Consecutive reactions: isothermal (plug fl ow) tubular reactors
2.2.3 Consecutive reactions: isothermal CSTR reactors
2.3 Parallel reactions
2.3.1 Parallel reactions: Isothermal batch reactors
2.3.2 Parallel reactions: Isothermal (plug fl ow) tubular reactors
2.3.3 Parallel reactions: Isothermal CSTR reactors
2.4 Effect of temperature on relative rates of parallel reactions
2.5 How relative rates of reaction can affect the choice of chemical reactors
2.6 Extents of reaction: definitions and simple applications
2.6.1 Extents of reaction: Batch reactors
2.6.2 Extents of reaction: Tubular reactors assuming plug fl ow
2.6.3 Extents of reaction: Continuous stirred tank reactors
2.6.4 Applications to complex reaction schemes
2.6.5 Extents of reaction: Example

CHAPTER 3: NON-ISOTHERMAL REACTORS
3.1 Energy balance equations: Introduction
3.2 Energy balance equations for CSTR reactors
3.3 Multiplicity of steady states in non-isothermal CSTR’s
3.4 Non-isothermal CSTR’s: The adiabatic operating line
3.5 Mass & energy balances in tubular reactors

CHAPTER 4: REVERSIBLE REACTIONS IN NON-ISOTHERMAL REACTORS
4.1 Reversible reactions
4.1.1 Deriving the van’t Hoff Equation
4.1.2 How does the equilibrium constant change with temperature?
4.2 Reactor design for reversible endothermic reactions
4.3 Reactor design for reversible exothermic reactions
4.3.1 The Locus of Maximum Reaction Rates
4.4 Reversible reactions: Conversions in a non-isothermal CSTR
4.4.1 CSTR operation with a reversible-endothermic reaction (ΔHr > 0)
4.4.2 CSTR operation with a reversible-exothermic reaction (ΔHr < 0)
4.5 Reversible-exothermic reaction (ΔHr < 0): “inter-stage cooling” and “cold-shot cooling”
4.5.1 Inter-stage cooling
4.5.2 Cold shot cooling
4.5.3 Discussion

CHAPTER 5: EFFECT OF FLOW PATTERNS ON CONVERSION
5.1 Introduction
5.2 Discussing the plug fl ow assumption
5.3 Defining residence time distributions
5.3.1 RTD in an ideal CSTR
5.3.2 The ideal PFR
5.4 Calculation of conversions from the residence time distribution

CHAPTER 6: THE DESIGN OF FIXED BED CATALYTIC REACTORS-I
6.1 Introduction
6.2 Mass transport between the bulk fl uid phase and external catalyst surfaces in isothermal reactors
6.3 Defining effectiveness factors – for isothermal pellets
6.3.1 Deriving the global reaction rate expression
6.3.2 How does ***** fit into the overall design problem?
6.3.3 What happens if we ignore external diffusion resistances?
6.4 Isothermal effectiveness factors
6.4.1 The isothermal effectiveness factor for a fl at-plate catalyst pellet
6.4.2 The isothermal effectiveness factor for a spherical catalyst pellet
6.4.3 The isothermal effectiveness factor for a cylindrical catalyst pellet
6.4.4 Discussion: Isothermal effectiveness factors for different pellet geometries
6.4.5 Discussion: Unifying isothermal effectiveness factors for different pellet geometries
6.5 Effectiveness factors for reaction rate orders other than unity
6.6 Criteria for determining the signifi cance of intra-particle diffusion Resistances
6.6.1 The Weisz-Prater criterion
6.7 Simultaneous mass & energy transport from the bulk fl uid phase to external catalyst surfaces
6.7.1 External heat and mass transfer coeffi cients
6.7.2 Estimating the maximum temperature gradient across the stagnant fi lm
6.8 Effectiveness factors for non-isothermal catalyst pellets
6.8.1 Calculating the maximum temperature rise
6.8.2 Effectiveness factors in non-isothermal reactors

CHAPTER 7: THE DESIGN OF FIXED BED CATALYTIC REACTORS-II
7.1 Introduction
7.1.1 Energy balance equation for FBCR
7.1.2 The material balance equation for FBCR
7.1.3 The pressure drop (momentum balance) equation
7.2 “Pseudo-Homogeneous” FBCR models
7.3 Elements of Column I in Table 7.1
7.4 Two-dimensional FBCR models
7.4.1 Co-ordinate system for 2-dimensional FBCRs
7.4.2 Example of full set of equations for a 2-dimensional NI-NA FBCR

ACKNOWLEDGEMENTS

REFERENCES