Innovations in Chemical Physics and Mesoscopy - Böcker

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 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.

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.

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.

This volume presents a selection of important information and discussion on the new scientific trend of chemical mesoscopics and also sheds new knowledge on the science of nanomaterials, processes of nanochemistry, and nanoengineering. The volume explores nanomaterial development as well as investigations of processes and modeling. It provides new perspectives on processes, while also discussing new methods of treatment polymeric materials and different material modification, including by super small quantities of metal/carbon nanocomposites.This volume will be a valuable resource on new trends on chemical mesoscopics, nanotechnology, and nanoengineering for researchers, scientists, professors, postgraduate students, and others.

This volume presents a selection of important information and discussion on the new scientific trend of chemical mesoscopics and also sheds new knowledge on the science of nanomaterials, processes of nanochemistry, and nanoengineering. The volume explores nanomaterial development as well as investigations of processes and modeling. It provides new perspectives on processes, while also discussing new methods of treatment polymeric materials and different material modification, including by super small quantities of metal/carbon nanocomposites.This volume will be a valuable resource on new trends on chemical mesoscopics, nanotechnology, and nanoengineering for researchers, scientists, professors, postgraduate students, and others.

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 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: 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.