Mathematical Modeling and Numerical Methods in Chemical Physics and Mechanics

Mathematical Modeling and Numerical Methods in Chemical Physics and Mechanics
Author: Ali V. Aliev
Publisher: CRC Press
Total Pages: 410
Release: 2016-04-27
Genre: Mathematics
ISBN: 1771882905
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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.

Applied Numerical Methods for Chemical Engineers

Applied Numerical Methods for Chemical Engineers
Author: Navid Mostoufi
Publisher: Academic Press
Total Pages: 503
Release: 2022-05-22
Genre: Technology & Engineering
ISBN: 0128229349
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Applied Numerical Methods for Chemical Engineers emphasizes the derivation of a variety of numerical methods and their application to the solution of engineering problems, with special attention to problems in the chemical engineering field. These algorithms encompass linear and nonlinear algebraic equations, eigenvalue problems, finite difference methods, interpolation, differentiation and integration, ordinary differential equations, boundary value problems, partial differential equations, and linear and nonlinear regression analysis. MATLAB is adopted as the calculation environment throughout the book because of its ability to perform all the calculations in matrix form, its large library of built-in functions, its strong structural language, and its rich graphical visualization tools. Through this book, students and other users will learn about the basic features, advantages and disadvantages of various numerical methods, learn and practice many useful m-files developed for different numerical methods in addition to the MATLAB built-in solvers, develop and set up mathematical models for problems commonly encountered in chemical engineering, and solve chemical engineering related problems through examples and after-chapter problems with MATLAB by creating application m-files. Clearly and concisely develops a variety of numerical methods and applies them to the solution of chemical engineering problems. These algorithms encompass linear and nonlinear algebraic equations, eigenvalue problems, finite difference methods, interpolation, linear and nonlinear regression analysis, differentiation and integration, ordinary differential equations, boundary value problems, and partial differential equations Includes systematic development of the calculus of finite differences and its application to the integration of differential equations, and a detailed discussion of nonlinear regression analysis, with powerful programs for implementing multivariable nonlinear regression and statistical analysis of the results Makes extensive use of MATLAB and Excel, with most of the methods discussed implemented into general MATLAB functions. All the MATLAB-language scripts developed are listed in the text and included in the book’s companion website Includes numerous real-world examples and homework problems drawn from the field of chemical and biochemical engineering

Applied Mathematics And Modeling For Chemical Engineers

Applied Mathematics And Modeling For Chemical Engineers
Author: Richard G. Rice
Publisher: John Wiley & Sons
Total Pages: 396
Release: 2012-09-25
Genre: Technology & Engineering
ISBN: 1118343026
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This Second Edition of the go-to reference combines the classical analysis and modern applications of applied mathematics for chemical engineers. The book introduces traditional techniques for solving ordinary differential equations (ODEs), adding new material on approximate solution methods such as perturbation techniques and elementary numerical solutions. It also includes analytical methods to deal with important classes of finite-difference equations. The last half discusses numerical solution techniques and partial differential equations (PDEs). The reader will then be equipped to apply mathematics in the formulation of problems in chemical engineering. Like the first edition, there are many examples provided as homework and worked examples.

Mathematical Modeling and Numerical Simulation in Continuum Mechanics

Mathematical Modeling and Numerical Simulation in Continuum Mechanics
Author: Ivo Babuska
Publisher: Springer Science & Business Media
Total Pages: 320
Release: 2001-11-20
Genre: Computers
ISBN: 9783540423997
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The first international symposium on mathematical foundations of the finite element method was held at the University of Maryland in 1973. During the last three decades there has been great progress in the theory and practice of solving partial differential equations, and research has extended in various directions. Full-scale nonlinear problems have come within the range of nu merical simulation. The importance of mathematical modeling and analysis in science and engineering is steadily increasing. In addition, new possibili ties of analysing the reliability of computations have appeared. Many other developments have occurred: these are only the most noteworthy. This book is the record of the proceedings of the International Sympo sium on Mathematical Modeling and Numerical Simulation in Continuum Mechanics, held in Yamaguchi, Japan from 29 September to 3 October 2000. The topics covered by the symposium ranged from solids to fluids, and in cluded both mathematical and computational analysis of phenomena and algorithms. Twenty-one invited talks were delivered at the symposium. This volume includes almost all of them, and expresses aspects of the progress mentioned above. All the papers were individually refereed. We hope that this volume will be a stepping-stone for further developments in this field.

An Introduction to Mathematical Modeling

An Introduction to Mathematical Modeling
Author: J. Tinsley Oden
Publisher: John Wiley & Sons
Total Pages: 348
Release: 2012-02-23
Genre: Mathematics
ISBN: 1118105745
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A modern approach to mathematical modeling, featuring unique applications from the field of mechanics An Introduction to Mathematical Modeling: A Course in Mechanics is designed to survey the mathematical models that form the foundations of modern science and incorporates examples that illustrate how the most successful models arise from basic principles in modern and classical mathematical physics. Written by a world authority on mathematical theory and computational mechanics, the book presents an account of continuum mechanics, electromagnetic field theory, quantum mechanics, and statistical mechanics for readers with varied backgrounds in engineering, computer science, mathematics, and physics. The author streamlines a comprehensive understanding of the topic in three clearly organized sections: Nonlinear Continuum Mechanics introduces kinematics as well as force and stress in deformable bodies; mass and momentum; balance of linear and angular momentum; conservation of energy; and constitutive equations Electromagnetic Field Theory and Quantum Mechanics contains a brief account of electromagnetic wave theory and Maxwell's equations as well as an introductory account of quantum mechanics with related topics including ab initio methods and Spin and Pauli's principles Statistical Mechanics presents an introduction to statistical mechanics of systems in thermodynamic equilibrium as well as continuum mechanics, quantum mechanics, and molecular dynamics Each part of the book concludes with exercise sets that allow readers to test their understanding of the presented material. Key theorems and fundamental equations are highlighted throughout, and an extensive bibliography outlines resources for further study. Extensively class-tested to ensure an accessible presentation, An Introduction to Mathematical Modeling is an excellent book for courses on introductory mathematical modeling and statistical mechanics at the upper-undergraduate and graduate levels. The book also serves as a valuable reference for professionals working in the areas of modeling and simulation, physics, and computational engineering.

Mathematical Fluid Mechanics

Mathematical Fluid Mechanics
Author: Jiri Neustupa
Publisher: Birkhäuser
Total Pages: 271
Release: 2012-12-06
Genre: Mathematics
ISBN: 3034882432
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Mathematical modeling and numerical simulation in fluid mechanics are topics of great importance both in theory and technical applications. The present book attempts to describe the current status in various areas of research. The 10 chapters, mostly survey articles, are written by internationally renowned specialists and offer a range of approaches to and views of the essential questions and problems. In particular, the theories of incompressible and compressible Navier-Stokes equations are considered, as well as stability theory and numerical methods in fluid mechanics. Although the book is primarily written for researchers in the field, it will also serve as a valuable source of information to graduate students.

Mathematical Modeling in Chemical Engineering

Mathematical Modeling in Chemical Engineering
Author: Anders Rasmuson
Publisher: Cambridge University Press
Total Pages: 195
Release: 2014-03-20
Genre: Technology & Engineering
ISBN: 1139917005
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A solid introduction to mathematical modeling for a range of chemical engineering applications, covering model formulation, simplification and validation. It explains how to describe a physical/chemical reality in mathematical language and how to select the type and degree of sophistication for a model. Model reduction and approximation methods are presented, including dimensional analysis, time constant analysis and asymptotic methods. An overview of solution methods for typical classes of models is given. As final steps in model building, parameter estimation and model validation and assessment are discussed. The reader is given hands-on experience of formulating new models, reducing the models and validating the models. The authors assume the knowledge of basic chemical engineering, in particular transport phenomena, as well as basic mathematics, statistics and programming. The accompanying problems, tutorials, and projects include model formulation at different levels, analysis, parameter estimation and numerical solution.

Numerical Modeling of Coupled Phenomena in Science and Engineering

Numerical Modeling of Coupled Phenomena in Science and Engineering
Author: Mario César Suárez Arriaga
Publisher: CRC Press
Total Pages: 496
Release: 2008-12-01
Genre: Technology & Engineering
ISBN: 0203886224
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Mathematics is a universal language. Differential equations, mathematical modeling, numerical methods and computation form the underlying infrastructure of engineering and the sciences. In this context mathematical modeling is a very powerful tool for studying engineering problems, natural systems and human society. This interdisciplinary book cont

Mathematical Modeling and Simulation

Mathematical Modeling and Simulation
Author: Kai Velten
Publisher: John Wiley & Sons
Total Pages: 362
Release: 2009-06-01
Genre: Science
ISBN: 3527627618
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This concise and clear introduction to the topic requires only basic knowledge of calculus and linear algebra - all other concepts and ideas are developed in the course of the book. Lucidly written so as to appeal to undergraduates and practitioners alike, it enables readers to set up simple mathematical models on their own and to interpret their results and those of others critically. To achieve this, many examples have been chosen from various fields, such as biology, ecology, economics, medicine, agricultural, chemical, electrical, mechanical and process engineering, which are subsequently discussed in detail. Based on the author`s modeling and simulation experience in science and engineering and as a consultant, the book answers such basic questions as: What is a mathematical model? What types of models do exist? Which model is appropriate for a particular problem? What are simulation, parameter estimation, and validation? The book relies exclusively upon open-source software which is available to everybody free of charge. The entire book software - including 3D CFD and structural mechanics simulation software - can be used based on a free CAELinux-Live-DVD that is available in the Internet (works on most machines and operating systems).

Mathematical Models and Methods for Ab Initio Quantum Chemistry

Mathematical Models and Methods for Ab Initio Quantum Chemistry
Author: M. Defranceschi
Publisher: Springer Science & Business Media
Total Pages: 247
Release: 2012-12-06
Genre: Science
ISBN: 3642572375
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On the occasion of the fourth International Conference on Industrial and Applied Mathematics!, we decided to organize a sequence of 4 minisymposia devoted to the mathematical aspects and the numerical aspects of Quantum Chemistry. Our goal was to bring together scientists from different communities, namely mathematicians, experts at numerical analysis and computer science, chemists, just to see whether this heterogeneous set of lecturers can produce a rather homogeneous presentation of the domain to an uninitiated audience. To the best of our knowledgde, nothing of this kind had never been tempted so far. It seemed to us that it was the good time for doing it, both . because the interest of applied mathematicians into the world of computational chemistry has exponentially increased in the past few years, and because the community of chemists feels more and more concerned with the numerical issues. Indeed, in the early years of Quantum Chemistry, the pioneers (Coulson, Mac Weeny, just to quote two of them) used to solve fundamental equations modelling toy systems which could be simply numerically handled in view of their very limited size. The true difficulty arose with the need to model larger systems while possibly taking into account their interaction with their environment. Hand calculations were no longer possible, and computing science came into the picture.