Kinetics of Chemical Reactions ─ Decoding Complexity

This systematic presentation covers both experimental and theoretical kinetic methods, as well as fundamental and applied. The identification of dominant reaction paths, reaction intermediates and rate-determining steps allows a quantification of the effects of reaction conditions and catalyst properties, providing guidelines for catalyst optimization. In addition, the form in which the equations are presented allows for their straightforward implementation for scale-up and chemical reactor design purposes. Throughout, the methodologies given are illustrated by many examples.

Professor Guy B. Marin is chair of the Department of Chemical Engineering at Ghent University (Belgium). He received his degree from Ghent University in 1976 where he also obtained his Ph.D. in 1980. After a post-doctoral stay in 1981 at Catalytica Associates and Stanford University he obtained tenure at the Ghent University in 1986. He took a position of full professor in 1988 at the Eindhoven University of Technology (The Netherlands) where he taught chemical reactors. In 1997 he returned to Ghent as director of the Laboratory for Petrochemical Technology. He co-authored more than 200 papers in international journals. He is editor-in-chief of 'Advances in Chemical Engineering'. He is member of several scientific committees and board of directors.

Professor Gregory S. Yablonsky obtained his academic degrees from the Boreskov Institute of Catalysis (Novosibirsk, Russia). Since 1995, he is working in the Department of Chemical Engineering at Washington University in St. Louis, USA (presently Department of Energy, Environmental and Chemical Engineering). Yablonsky was a Visiting Professor at several universities. He has served as an organizer and chairman of many international conferences on chemical kinetics, catalysis, and mathematical methods in chemical engineering as well. He has been involved in theoretical kinetics and heterogeneous catalysis research for over 30 years, and is author of more than 200 papers and six books.

INTRODUCTION
Decoding Complexity in Chemical Kinetics
Three Types of Chemical Kinetics
Challenges and Goals. How to Kill Chemical Complexity
What our Book is not about. Our Book among other Books on Chemical Kinetics
Logics in the Reasoning of this Book
How Chemical Kinetics and Mathematics are Interwoven in this Book
Brief History of Chemical Kinetics
CHEMICAL REACTIONS AND COMPLEXITY
Introduction
Elementary Reactions and the Mass-Action Law
The Reaction Rate and Net Rate of Production of a Component -
A Big Difference
Dimensions of the Kinetic Parameters and their Order of Magnitude
Conclusions
KINETIC EXPERIMENTS: CONCEPTS AND REALIZATIONS
Introduction
Experimental Requirements
Material Balances
Classification of Reactors for Kinetic Experiments
Formal Analysis of Typical Ideal Reactors
Kinetic-Model-Free Analysis
Diagnostics of Kinetic Experiments in Heterogeneous Catalysis
CHEMICAL BOOK-KEEPING: LINEAR ALGEBRA IN CHEMICAL KINETICS
Basic Elements of Linear Algebra
Linear Algebra and Complexity of Chemical Reactions
Conclusions
STEADY-STATE CHEMICAL KINETICS: A PRIMER
Introduction to Graph Theory
Representation of Complex Mechanisms as Graphs
How to Derive the Reaction Rate for a Complex Reaction
The Derivation of Steady-State Kinetic Equations for a Single-Route Mechanism -
Examples
The Derivation of Steady-State Kinetic Equations for Multi-Route Mechanisms -
Kinetic Coupling
STEADY-STATE CHEMICAL KINETICS: MACHINERY
Analysis of Rate Equations
Apparent Kinetic Parameters: Reaction Order and Activation Energy
How to Reveal Mechanisms Based on Steady-State Kinetic Data
Conclusions
LINEAR AND NONLINEAR RELAXATION. STABILITY
Introduction
Relaxation in a Closed System
Stability -
General Concept
Simplifications of Non-Steady-State Models
NONLINEAR MECHANISMS. STEADY STATE AND DYNAMICS
Critical Phenomena
Isothermal Critical Effects in Heterogeneous Catalysis. Experimental Facts
Ideal Simple Models: Steady State
Ideal Simple Models: Dynamics
Structure of the Detailed Mechanism and Critical Phenomena: Relationships
Non-Ideal Factors
Conclusions
KINETIC POLYNOMIALS
"Linear" Introduction to the Nonlinear Problem: Reminder
"Nonlinear" Introduction
Principles of the Approach: Quasi-Steady-State Approximation, Mathematical Basis
Kinetic Polynomials: Derivation and Properties
Kinetic Polynomials: Classical Approximations and Simplifications
Application of Results of the Kinetic-Polynomial Theory: Cycles Across an Equilibrium
Critical Simplification
Concluding Remarks
TEMPORAL ANALYSIS OF PRODUCTS: PRINCIPLES, APPLICATIONS AND THEORY
Introduction
The TAP Experiment
Description and Operation of a TAP Reactor System
Basic Principle of TAP
The Position of TAP Among Other Kinetic Methods
Qualitative TAP Data Analysis. Examples
Quantitative TAP Data Description. Theoretical Analysis
Kinetic Monitoring. Strategy of Interrogative Kinetics
Theoretical Frontiers
Conclusions: What is the Nearest Future?
DECODING THE PAST
Chemical Time and Intermediates. Early History
Discovery of Catalysis and Chemical Kinetics
Guldberg and Waage?s Breakthrough
Van 't Hoff's Revolution. Achievements and Contradictions
Post-Van 't Hoff Period. Reaction is not a Single-Act Drama
All-in-All Confusion. Attempts at Understanding
Out of Confusion. Physicochemical Understanding
Towards Mathematical Chemical Kinetics
DECODING THE FUTURE
A Great Achievement, A Great Illusion
A New Paradigm for Decoding Chemical Complexity