Chemical Modelling

Chemical modelling covers a wide range of hot topics and active areas in computational chemistry and related fields. With the increase in volume, velocity and variety of information, researchers can f

The book introduces the reader to key aspects in mathematical modeling of batch processes and presents techniques to overcome the computational complexity in order to yield models that are solvable in

Chemical modelling covers a wide range of disciplines and with the increase in volume, velocity and variety of information, researchers can find it difficult to keep up to date with the literature in

Chemical Modelling covers a wide range of disciplines and this Specialist Periodical Report is the first stop for any materials scientist, biochemist, chemist or molecular physicist wishing to acquain

An essential resource for experienced researchers and those just entering the field of chemical modelling, this latest Specialist Periodical Report is an essential resource for any research group acti

Chemical Modelling: Applications and Theory comprises critical literature reviews of all aspects of molecular modelling. Molecular modelling in this context refers to modelling the structure, properti

Chemical Modelling: Applications and Theory comprises critical literature reviews of all aspects of molecular modelling. Molecular modelling in this context refers to modelliing the structure, propert

Chemical Modelling: Applications and Theory comprises critical literature reviews of all aspects of molecular modelling. Molecular modelling in this context refers to modelliing the structure, propert

Chemical Modelling: Applications and Theory comprises critical literature reviews of molecular modelling, both theoretical and applied. Molecular modelling in this context refers to modelling the stru

Chemical Modelling: Applications and Theory comprises critical literature reviews of molecular modelling, both theoretical and applied. Molecular modelling in this context refers to modelling the stru

Chemical Modelling: Applications and Theory comprises critical literature reviews of molecular modelling, both theoretical and applied. Molecular modelling in this context refers to modelling the stru

Chemical Modelling: Applications and Theory comprises critical literature reviews of molecular modelling, both theoretical and applied. Molecular modelling in this context refers to modelling the stru

Written in a clear, logical and concise manner, this comprehensive resource provides discussion on essential mathematical tools, required for upgraded system performance. Understanding of basic principles and governing laws is essential to reduce complexity of the system, and this guide offers detailed discussion on analytical and numerical techniques to solve mathematical model equations. Important concepts including nonlinear algebraic equations, initial value ordinary differential equations (ODEs) and boundary value ODEs are discussed in detail. The concepts of optimization methods and sensitivity analysis, which are important from subject point of view, are explained with suitable examples. Numerous problems and MATLAB®/Scilab exercises are interspersed throughout the text. Several case studies involving full details of simulation are offered for better understanding. The accompanying website will host additional MATLAB®/Scilab problems, model question papers, simulation exercises,

Advanced Data Analysis and Modeling in Chemical Engineering provides the mathematical foundations of different areas of chemical engineering and describes typical applications. The book presents the k

This book presents a new suite of benchmarks for and examples of porous media mechanics collected over the last two years. It continues the assembly of benchmarks and examples for porous media mechani

The use of simulation plays a vital part in developing an integrated approach to process design. By helping save time and money before the actual trial of a concept, this practice can assist with trou

In Chemical Engineering Dynamics, the modelling of dynamic chemical engineering processes is presented in a highly understandable way using the unique combination of simplified fundamental theory and

The use of modelling techniques in the analysis and solution of problems in science and other fields of knowledge is widespread and has often come under intensive scrutiny. This 1978 book concerns the use of models in learning, understanding, and practising chemistry. It will therefore be of interest to chemists, biochemists and chemical engineers in research and industry, and to many students of chemical science. The chemist uses models in his work not only in the material sense, for example molecular models, but also in his patterns of thought, coming to grips with chemistry and its applications through the manipulation of models. The present work outlines the scope of modelling and, from a discussion of the general principles involved, develops themes relevant to both academic and industrial scientists.

Many leading experts contribute to this follow-up to An Introduction to Reservoir Simulation using MATLAB/GNU Octave: User Guide for the MATLAB Reservoir Simulation Toolbox (MRST). It introduces more advanced functionality that has been recently added to the open-source MRST software. It is however a self-contained introduction to a variety of modern numerical methods for simulating multiphase flow in porous media, with applications to geothermal energy, chemical enhanced oil recovery (EOR), flow in fractured and unconventional reservoirs, and in the unsaturated zone. The reader will learn how to implement new models and algorithms in a robust, efficient manner. A large number of numerical examples are included, all fully equipped with code and data so that the reader can reproduce the results and use them as a starting point for their own work. Like the original textbook, this book will prove invaluable for researchers, professionals and advanced students using reservoir simulation me

This practical introduction to stochastic reaction-diffusion modelling is based on courses taught at the University of Oxford. The authors discuss the essence of mathematical methods which appear (under different names) in a number of interdisciplinary scientific fields bridging mathematics and computations with biology and chemistry. The book can be used both for self-study and as a supporting text for advanced undergraduate or beginning graduate-level courses in applied mathematics. New mathematical approaches are explained using simple examples of biological models, which range in size from simulations of small biomolecules to groups of animals. The book starts with stochastic modelling of chemical reactions, introducing stochastic simulation algorithms and mathematical methods for analysis of stochastic models. Different stochastic spatio-temporal models are then studied, including models of diffusion and stochastic reaction-diffusion modelling. The methods covered include molecula

This practical introduction to stochastic reaction-diffusion modelling is based on courses taught at the University of Oxford. The authors discuss the essence of mathematical methods which appear (under different names) in a number of interdisciplinary scientific fields bridging mathematics and computations with biology and chemistry. The book can be used both for self-study and as a supporting text for advanced undergraduate or beginning graduate-level courses in applied mathematics. New mathematical approaches are explained using simple examples of biological models, which range in size from simulations of small biomolecules to groups of animals. The book starts with stochastic modelling of chemical reactions, introducing stochastic simulation algorithms and mathematical methods for analysis of stochastic models. Different stochastic spatio-temporal models are then studied, including models of diffusion and stochastic reaction-diffusion modelling. The methods covered include molecula

Comprehensive and thorough, this monograph emphasizes the main role differential geometry and convex analysis play in the understanding of physical, chemical, and mechanical notions. Central focus is

Coulson and Richardson’s Chemical Engineering: Volume 3A: Chemical and Biochemical Reactors and Reaction Engineering, Fourth Edition, covers reactor design, flow modelling, gas-liquid and gas-solid re

Modelling of Chemical Wear is a one-stop resource for students, researchers and professionals seeking quick and effective tribological evaluations of products which reduce environmental impact and ene

The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the inte

Naturally occurring or manufactured through chemical and/or physical processes, particulate materials are substances consisting of individual particles which have significance to the global economy, s

Particulate discrete element analysis is becoming increasingly popular for research in geomechanics as well as geology, chemical engineering, powder technology, petroleum engineering and in studying t