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The purpose of this book is to introduce researchers and practitioners to recent advances and applications of Monte Carlo Simulation (MCS). Random sampling is the key of the MCS technique. The 11 chapters of this book collectively illustrates how such a sampling technique is exploited to solve difficult problems or analyze complex systems in various engineering and science domains. Issues related to the use of MCS including goodness-of-fit, uncertainty evaluation, variance reduction, optimization, and statistical estimation are discussed and examples of solutions are given. Novel applications of MCS are demonstrated in financial systems modeling, estimation of transition behavior of organic molecules, chemical reaction, particle diffusion, kinetic simulation of biophysics and biological data, and healthcare practices. To enlarge the accessibility of this book, both field-specific background materials and field-specific usages of MCS are introduced in most chapters. The aim of this book is to unify knowledge of MCS from different fields to facilitate research and new applications of MCS.
This book presents an overview of the most recent advances in nonlinear science. It provides a unified view of nonlinear properties in many different systems and highlights many new developments. While volume 1 concentrates on mathematical theory and computational techniques and challenges, which are essential for the study of nonlinear science, this second volume deals with nonlinear excitations in several fields. These excitations can be localized and transport energy and matter in the form of breathers, solitons, kinks or quodons with very different characteristics, which are discussed in the book. They can also transport electric charge, in which case they are known as polarobreathers or solectrons. Nonlinear excitations can influence function and structure in biology, as for example, protein folding. In crystals and other condensed matter, they can modify transport properties, reaction kinetics and interact with defects. There are also engineering applications in electric lattices, Josephson junction arrays, waveguide arrays, photonic crystals and optical fibers. Nonlinear excitations are inherent to Bose-Einstein Condensates, constituting an excellent benchmark for testing their properties and providing a pathway for future discoveries in fundamental physics.
Wiley Series on Electrocatalysis and Electrochemistry Fuel Cell Catalysis A Surface Science Approach A Core reference on fuel cell catalysis Fuel cells represent an important alternative energy source and a very active area of research. Fuel Cell Catalysis brings together world leaders in this field, providing a unique combination of state-of-the-art theory and computational and experimental methods. With an emphasis on understanding fuel cell catalysis at the molecular level, this text covers fundamental principles, future challenges, and important current research themes. Fuel Cell Catalysis: Provides a molecular-level description of catalysis for low-temperature polymer-electrolyte membrane fuel cells, including both hydrogen-oxygen cells and direct alcohol cells Examines catalysis issues of both anode and cathode such as oxygen reduction, alcohol oxidation, and CO tolerance Features a timely and forward-looking approach through emphasis on novel aspects such as computation and bio-inspiration Reviews the use and potential of surface-sensitive techniques like vibrational spectroscopy (IR, Raman, nonlinear spectroscopy, laser), scanning tunneling microscopy, X-ray scattering, NMR, electrochemical techniques, and more Reviews the use and potential of such modern computational techniques as DFT, ab initio MD, kinetic Monte Carlo simulations, and more Surveys important trends in reactivity and structure sensitivity, nanoparticles, "dynamic" catalysis, electrocatalysis vs. gas-phase catalysis, new experimental techniques, and nontraditional catalysts This cutting-edge collection offers a core reference for electrochemists, electrocatalysis researchers, surface and physical chemists, chemical and automotive engineers, and researchers in academia, research institutes, and industry.
This book is focused on mathematical modelling of chemical kinetics. The authors present the classification of basic models of chemical kinetics, thermokinetics and macrokinetics, as well as their application for the most important chemical transformations, such as combustion and catalysis. Readers will find a detailed description and analysis of different mathematical instruments which can be applied for simulation of reaction dynamics.
Publishes papers that report results of research in statistical physics, plasmas, fluids, and related interdisciplinary topics. There are sections on (1) methods of statistical physics, (2) classical fluids, (3) liquid crystals, (4) diffusion-limited aggregation, and dendritic growth, (5) biological physics, (6) plasma physics, (7) physics of beams, (8) classical physics, including nonlinear media, and (9) computational physics.
Mathematical modeling is the art and craft of building a system of equations that is both sufficiently complex to do justice to physical reality and sufficiently simple to give real insight into the situation. Mathematical Modeling: A Chemical Engineer's Perspective provides an elementary introduction to the craft by one of the century's most distinguished practitioners. Though the book is written from a chemical engineering viewpoint, the principles and pitfalls are common to all mathematical modeling of physical systems. Seventeen of the author's frequently cited papers are reprinted to illustrate applications to convective diffusion, formal chemical kinetics, heat and mass transfer, and the philosophy of modeling. An essay of acknowledgments, asides, and footnotes captures personal reflections on academic life and personalities. - Describes pitfalls as well as principles of mathematical modeling - Presents twenty examples of engineering problems - Features seventeen reprinted papers - Presents personal reflections on some of the great natural philosophers - Emphasizes modeling procedures that precede extensive calculations
The theory of stochastic processes originally grew out of efforts to describe Brownian motion quantitatively. Today it provides a huge arsenal of methods suitable for analyzing the influence of noise on a wide range of systems. The credit for acquiring all the deep insights and powerful methods is due ma- ly to a handful of physicists and mathematicians: Einstein, Smoluchowski, Langevin, Wiener, Stratonovich, etc. Hence it is no surprise that until - cently the bulk of basic and applied stochastic research was devoted to purely mathematical and physical questions. However, in the last decade we have witnessed an enormous growth of results achieved in other sciences - especially chemistry and biology - based on applying methods of stochastic processes. One reason for this stochastics boom may be that the realization that noise plays a constructive rather than the expected deteriorating role has spread to communities beyond physics. Besides their aesthetic appeal these noise-induced, noise-supported or noise-enhanced effects sometimes offer an explanation for so far open pr- lems (information transmission in the nervous system and information p- cessing in the brain, processes at the cell level, enzymatic reactions, etc.). They may also pave the way to novel technological applications (noise-- hanced reaction rates, noise-induced transport and separation on the na- scale, etc.). Key words to be mentioned in this context are stochastic r- onance, Brownian motors or ratchets, and noise-supported phenomena in excitable systems.
Containing illustrations, worked examples, graphs and tables, this book deals with periodic precipitation (also known as Liesegang Ring formation) in terms of mathematical models and their logical consequences, and is entirely concerned with microcomputer analysis and software development. Three distinctive periodic precipitation mechanisms are included: binary diffusion-reaction; solubility modulation, and competitive particle growth. The book provides didactic illustrations of a valuable investigational procedure, in the form of hypothetical experimentation by microcomputer. The development of appropriate software is described and the resulting programs are available separately on disk. The software (for IBM compatible microcomputers; 5 1/4 and 3 1/2 inch disks available) will be sold separately by, The Carnation Press, PO Box 101, State College, PA 16804, USA.