The book is devoted to the stochastic approach to the theoretical description of chemical reaction kinetics in condensed phase, based on Langevin or Fokker-Planck equations for the motion along the reaction co-ordinate. This method is often opposed to the "dynamic" one, used in the works on quantum mechanical theory of non-adiabatic reactions, although in fact they are not antagonists. The goal of the book is to describe both approaches and to demonstrate the relationship between them. The book involves an introduction into stochastic methods for charge transfer reactions and presents a detailed comparison of new approach with more traditional ones. The presentation of the major material is rather simple and detailed, and uses various analogies and cross-references to different parts of the book. This makes the book easy for the students. It will be also useful for the postgraduates and researchers working in chemical kinetics, since it involves many results and final equations, and may be used in the teaching courses and scientific studies.
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Stochastic Chemical Kinetics Joseph K. Scott November 10, 2011 1 Introduction to Stochastic Chemical Kinetics Consider the reaction I +I → D. The conventional kinetic model for the concentration of I in a closed system is given by dCI (t) = −kC. I (t)C. I (t), dt where k is the rate constant. The stochastic approach to chemical kinetics is concerned with modeling chemical reactions in ...
Stochastic models for a number of reversible chemical reactions involving one or two second‐order steps are examined and exact solutions which involve standard orthogonal polynomials are found for the equilibrium states. The expected values and variances of the numbers of molecules present in the systems at equilibrium are expressed in terms of these polynomials.