Chapter 12. Thermodynamics and Kinetics of Transformation Reactions
Published Online: 8 JUN 2005
DOI: 10.1002/0471649643.ch12
Copyright © 2003 John Wiley & Sons, Inc. All rights reserved.
Book Title
Environmental Organic Chemistry
Additional Information
How to Cite
Schwarzenbach, R. P., Gschwend, P. M. and Imboden, D. M. (2005) Thermodynamics and Kinetics of Transformation Reactions, in Environmental Organic Chemistry, John Wiley & Sons, Inc., Hoboken, NJ, USA. doi: 10.1002/0471649643.ch12
Publication History
- Published Online: 8 JUN 2005
- Published Print: 23 AUG 2002
ISBN Information
Print ISBN: 9780471350538
Online ISBN: 9780471649649
- Summary
- Chapter
Keywords:
- free energy of reaction;
- first order kinetics;
- first-order linear inhomogeneous differential equation;
- catalyzed reactions;
- Arrhenius equation;
- transition state theory;
- well-mixed reactor;
- one-box model
Summary
In this chapter, theoretical concepts are summarized for quantitative treatments of transformation reactions of organic chemicals. First, the question of whether a reaction is thermodynamically feasible under conditions of interest is addressed by examining that transformation's Gibbs free energy of reaction. Next, the mathematical formulations used to describe the rates of reactions, including especially first-order and catalyzed cases, are developed. In order to assess the dependencies of the rate constants on temperature, and to quantify the energy barriers limiting reactions, the Arrhenius and transition state models of reaction kinetics are described. Finally, since chemical reactions in environmental problems generally occur in systems in which chemical transport is simultaneously occurring, the one-box mass-balance model is introduced and the differential equation used to solve the time-varying chemical concentrations in such transport-plus-transformation systems is provided.