Modern Aspects of Diffusion-Controlled Reactions

Modern Aspects of Diffusion-Controlled Reactions
Author: E. Kotomin
Publisher: Elsevier
Total Pages: 637
Release: 1996-10-24
Genre: Science
ISBN: 0080536670

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This monograph deals with the effects of reactant spatial correlations arising in the course of basic bimolecular reactions describing defect recombination, energy transfer and exciton annihilation in condensed matter. These effects lead to the kinetics considered abnormal from the standard chemical kinetics point of view. Numerous bimolecular reaction regimes and conditions are analysed in detail. Special attention is paid to the development and numerous applications of a novel, many-point density (MPD) formalism, which is based on Kirkwood's superposition approximation used for decoupling three-particle correlation functions. The book demonstrates that incorporation of the reaction-induced spatial correlations of similar reactants (e.g., vacancy-vacancy) leads to the development of an essentially non-Poisson spectrum of reactant density fluctuations. This can completely change the kinetics at longer times since it no longer obeys the law of mass action. The language of the correlation lengths and critical exponents similar to physics of critical phenomena is used instead. A relation between MPD theory and synergistics is discussed. The validity of the theorem giving a critical complexity for the two-step reactions exhibiting self-organization phenomena is questioned. Theoretical results are illustrated by numerous experimental data.

Diffusion in Solids

Diffusion in Solids
Author: Martin Eden Glicksman
Publisher: John Wiley & Sons
Total Pages: 498
Release: 2022-09-14
Genre: Science
ISBN: 1394172559

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This book offers a modern treatment of diffusion in solids, covering such core topics as the transport of mass through the lattice of a crystalline solid. Part I of the book develops basic concepts in diffusion field theory and illustrates them with several applications, while Part II focuses on key solid-state principles needed to apply diffusion theory to real materials.

Diffusion of Reactive Molecules in Solids and Melts

Diffusion of Reactive Molecules in Solids and Melts
Author: Robert H. Doremus
Publisher: John Wiley & Sons
Total Pages: 320
Release: 2001-12-03
Genre: Science
ISBN: 9780471385455

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Die Verteilung reaktiver Moleküle in Festkörpern und Schmelzen wird hier mit Hilfe eines Diffusions-Reaktions-Modells beschrieben. Klar und präzise stellt der Autor, ein anerkannter Spezialist auf diesem Gebiet, die physikalischen und mathematischen Grundlagen von Diffusionsreaktionen dar und illustriert sie am Beispiel spezieller Werkstoffe.

Stochastic Methods for Boundary Value Problems

Stochastic Methods for Boundary Value Problems
Author: Karl K. Sabelfeld
Publisher: Walter de Gruyter GmbH & Co KG
Total Pages: 208
Release: 2016-09-26
Genre: Mathematics
ISBN: 3110479451

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This monograph is devoted to random walk based stochastic algorithms for solving high-dimensional boundary value problems of mathematical physics and chemistry. It includes Monte Carlo methods where the random walks live not only on the boundary, but also inside the domain. A variety of examples from capacitance calculations to electron dynamics in semiconductors are discussed to illustrate the viability of the approach. The book is written for mathematicians who work in the field of partial differential and integral equations, physicists and engineers dealing with computational methods and applied probability, for students and postgraduates studying mathematical physics and numerical mathematics. Contents: Introduction Random walk algorithms for solving integral equations Random walk-on-boundary algorithms for the Laplace equation Walk-on-boundary algorithms for the heat equation Spatial problems of elasticity Variants of the random walk on boundary for solving stationary potential problems Splitting and survival probabilities in random walk methods and applications A random WOS-based KMC method for electron–hole recombinations Monte Carlo methods for computing macromolecules properties and solving related problems Bibliography

Comprehensive Chemical Kinetics

Comprehensive Chemical Kinetics
Author: E. Kotomin
Publisher:
Total Pages: 612
Release: 1996
Genre: Chemical kinetics
ISBN: 9780444824721

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