mathematical modeling and numerical methods in chemical physics and mechanics innovations in chemical physics and mesoscopy

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Mathematical Modeling And Numerical Methods In Chemical Physics And Mechanics

Author : Ali V. Aliev
ISBN : 9781771882903
Genre : Mathematics
File Size : 77. 23 MB
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The use of mathematical modeling in engineering allows for a significant reduction of material costs associated with design, production, and operation of technical objects, but it is important for an engineer to use the available computational approaches in modeling correctly. Taking into account the level of modern computer technology, this new volume explains how an engineer should properly define the physical and mathematical problem statement, choose the computational approach, and solve the problem by proven reliable computational approach using computer and software applications during the solution of a particular problem. This work is the result of years of the authors’ research and experience in the fields of power and rocket engineering where they put into practice the methods of mathematical modeling shown in this valuable volume. The examples in the book are based on two approaches. The first approach involves the use of the relatively simple mathematical system MathCad. The second one involves the solving of problems using Intel Visual Fortran compiler with IMSL Libraries. The use of other software packages (Maple, MathLab, Mathematica) or compilers (С, С++, Visual Basic) for code is equally acceptable in the solution of the problems given in the book. Intended for professors and instructors, scientific researchers, students, and industry professionals, the book will help readers to choose the most appropriate mathematical modeling method to solve engineering problems, and the authors also include methods that allow for the solving of nonmathematical problems as mathematical problems.

Computational Multiscale Modeling Of Multiphase Nanosystems

Author : Alexander V. Vakhrushev
ISBN : 9781351800266
Genre : Science
File Size : 29. 47 MB
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Computational Multiscale Modeling of Multiphase Nanosystems: Theory and Applications presents a systematic description of the theory of multiscale modeling of nanotechnology applications in various fields of science and technology. The problems of computing nanoscale systems at different structural scales are defined, and algorithms are given for their numerical solutions by the quantum/continuum mechanics, molecular dynamics, and mesodynamics methods. Emphasis is given to the processes of the formation, movement, and interaction of nanoparticles; the formation of nanocomposites; and the processes accompanying the application of nanocomposites. The book concentrates on different types of nanosystems: solid, liquid, gaseous, and multi-phase, consisting of various elements interacting with each other, and with other elements of the nanosystem and with the environment. The book includes a large number of examples of numerical modeling of nanosystems. The valuable information presented here will be useful to engineers, researchers, and postgraduate students engaged in the design and research in the field of nanotechnology.

Applied Mathematical Models And Experimental Approaches In Chemical Science

Author : Vladimir Ivanovitch Kodolov
ISBN : 9781315341972
Genre : Mathematics
File Size : 89. 76 MB
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This new book focuses on nanomaterial development as well as investigations of combustion and explosion processes. It presents valuable information on the modeling of processes and on quantum chemical calculations and leading-edge research from around the world in this dynamic field, focusing on concepts above formal experimental techniques and theoretical methods of chemical physics for micro- and nanotechnologies. Also presented are non-linear kinetic appearances and their possible applications.

Multifunctional Materials And Modeling

Author : M. A. Korepanov
ISBN : 9781498709545
Genre : Science
File Size : 38. 98 MB
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This important book presents a valuable collection of new research and new trends in nanomaterials, mesoscopy, quantum chemistry, and chemical physics processes. It highlights the development of nanomaterials as well as investigation of combustion and explosion processes. It highlights new trends in processes and methods of the treatment of polymeric materials and also covers material modification, including super small quantities of metal/carbon nanocomposites as well as new information on the modeling of processes and quantum calculations. Nonlinear kinetic appearances and their applications are highlighted as well. The chapters are divided into three major sections: computational modeling, surface and interface investigations, and nanochemistry, nanomaterials, and nanostructured materials.

Applied Chemistry And Chemical Engineering Volume 1

Author : A. K. Haghi
ISBN : 9781315341439
Genre : Mathematics
File Size : 26. 22 MB
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This new book brings together innovative research, new concepts, and novel developments in the application of informatics tools for applied chemistry and computer science. It presents a modern approach to modeling and calculation and also looks at experimental design in applied chemistry and chemical engineering. The volume discusses the developments of advanced chemical products and respective tools to characterize and predict the chemical material properties and behavior. Providing numerous comparisons of different methods with one another and with different experiments, not only does this book summarize the classical theories, but it also exhibits their engineering applications in response to the current key issues. Recent trends in several areas of chemistry and chemical engineering science, which have important application to practice, are discussed. Applied Chemistry and Chemical Engineering: Volume 1: Mathematical and Analytical Techniques provides valuable information for chemical engineers and researchers as well as for graduate students. It demonstrates the progress and promise for developing chemical materials that seem capable of moving this field from laboratory-scale prototypes to actual industrial applications. Volume 2 will focus principles and methodologies in applied chemistry and chemical engineering.

British Qualifications 2016

Author : Philip Kogan
ISBN : 9780749474812
Genre : Business & Economics
File Size : 40. 93 MB
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Now in its 46th edition, British Qualifications is the definitive one-volume guide to every qualification on offer in the United Kingdom. With an equal focus on vocational studies, this essential guide has full details of all institutions and organizations involved in the provision of further and higher education and is an essential reference source for careers advisors, students and employers. It also includes a comprehensive and up-to-date description of the structure of further and higher education in the UK. The book includes information on awards provided by over 350 professional institutions and accrediting bodies, details of academic universities and colleges and a full description of the current framework of academic and vocational education. It is compiled and checked annually to ensure accuracy of information.

Mathematical Modeling In Chemical Engineering

Author : Anders Rasmuson
ISBN : 9781107049697
Genre : Technology & Engineering
File Size : 68. 84 MB
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A solid introduction, enabling the reader to successfully formulate, construct, simplify, evaluate and use mathematical models in chemical engineering.

Computational Physics

Author : Jos Thijssen
ISBN : 9781139643764
Genre : Science
File Size : 45. 27 MB
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First published in 2007, this second edition describes the computational methods used in theoretical physics. New sections were added to cover finite element methods and lattice Boltzmann simulation, density functional theory, quantum molecular dynamics, Monte Carlo simulation, and diagonalisation of one-dimensional quantum systems. It covers many different areas of physics research and different computational methodologies, including computational methods such as Monte Carlo and molecular dynamics, various electronic structure methodologies, methods for solving partial differential equations, and lattice gauge theory. Throughout the book the relations between the methods used in different fields of physics are emphasised. Several new programs are described and can be downloaded from www.cambridge.org/9781107677135. The book requires a background in elementary programming, numerical analysis, and field theory, as well as undergraduate knowledge of condensed matter theory and statistical physics. It will be of interest to graduate students and researchers in theoretical, computational and experimental physics.

Functionalized Engineering Materials And Their Applications

Author : Sabu Thomas
ISBN : 9781315341408
Genre : Science
File Size : 65. 13 MB
Format : PDF
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Scientists and researchers are looking for new smart materials to replace old or conventional materials for better performance and for new applications. The use of polymeric materials and nanomaterials is increasing due to their wide-spectrum tunability and many properties. It is now easier to formulate materials for special purposes using these materials than using conventional materials and methods. Many commercial products made from polymeric materials and nanomaterials are now in use and on the market. This book presents a diverse selection of cutting-edge research on the development of polymeric materials and nanomaterials for new and different applications. These include electrical applications, biomedical applications, sensing applications, coating applications, and others. A few chapters dedicated to materials for construction applications are also included. Discussions include the properties, behavior, preparation, processing, and characterization of various polymeric materials, nanomaterials, and their composites. Some of the chapter authors present theoretical studies of these systems, which can help readers to develop a better understanding in this area.

A Guide To Monte Carlo Simulations In Statistical Physics

Author : David P. Landau
ISBN : 9781316062630
Genre : Science
File Size : 60. 62 MB
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Dealing with all aspects of Monte Carlo simulation of complex physical systems encountered in condensed-matter physics and statistical mechanics, this book provides an introduction to computer simulations in physics. This fourth edition contains extensive new material describing numerous powerful algorithms not covered in previous editions, in some cases representing new developments that have only recently appeared. Older methodologies whose impact was previously unclear or unappreciated are also introduced, in addition to many small revisions that bring the text and cited literature up to date. This edition also introduces the use of petascale computing facilities in the Monte Carlo arena. Throughout the book there are many applications, examples, recipes, case studies, and exercises to help the reader understand the material. It is ideal for graduate students and researchers, both in academia and industry, who want to learn techniques that have become a third tool of physical science, complementing experiment and analytical theory.

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