Chemical Complexity Via Simple Models
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Chemical Complexity via Simple Models
Author: Valeriy I. Bykov
language: en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date: 2018-01-22
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.
Astrochemical Modeling
Astrochemical Modelling: Practical Aspects of Microphysics in Numerical Simulations is a comprehensive and detailed guide to dealing with the standard problems that students and researchers face when they need to take into account astrochemistry in their models, including building chemical networks, determining the relevant processes, and understanding the theoretical challenges and the numerical limitations. The book provides chapters covering the theoretical background on the predominant areas of astrochemistry, with each chapter following theoretical background with information on existing databases, step-by-step computational examples with solutions to recurrent problems, and an overview of the different processes and their numerical implementation. Furthermore, a section on case studies provides concrete examples of computational modelling usage for real-world applications and cases where the techniques can be applied is also included. - Provides theoretical background on topics that is followed by computational examples and tailored tutorials to allow for full understanding and replication of techniques - Written by theoreticians and authors with direct experience on the computational implementation to provide a realistic and pragmatic approach to common problems - Details up-to-date information on available databases, tools and benchmarks for practical usage, forming a good starting point for introductory readers and a reference for actual implementation for more advanced researchers
Applied Chemistry and Chemical Engineering, Volume 3
Understanding mathematical modeling is fundamental in chemical engineering. This book reviews, introduces, and develops the mathematical models that are most frequently encountered in sophisticated chemical engineering domains. The volume provides a collection of models illustrating the power and richness of the mathematical sciences in supplying insight into the operation of important real-world systems. It fills a gap within modeling texts, focusing on applications across a broad range of disciplines. The first part of the book discusses the general components of the modeling process and highlights the potential of modeling in the production of nanofibers. These chapters discuss the general components of the modeling process and the evolutionary nature of successful model building in the electrospinning process. Electrospinning is the most versatile technique for the preparation of continuous nanofibers obtained from numerous materials. This section of book summarizes the state-of-the art in electrospinning as well as updates on theoretical aspects and applications. Part 2 of the book presents a selection of special topics on issues in applied chemistry and chemical engineering, including nanocomposite coating processes by electrocodeposition method, entropic factors conformational interactions, and the application of artificial neural network and meta-heuristic algorithms. This volume covers a wide range of topics in mathematical modeling, computational science, and applied mathematics. It presents a wealth of new results in the development of modeling theories and methods, advancing diverse areas of applications and promoting interdisciplinary interactions between mathematicians, scientists, engineers and representatives from other disciplines.