Mathematical Modeling And Numerical Methods In Chemical Physics And Mechanics
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| Author | : Ali V. Aliev |
| Publisher | : CRC Press |
| Total Pages | : 564 |
| Release | : 2016-04-27 |
| Genre | : Mathematics |
| ISBN | : 1771882905 |
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 vo
| Author | : Navid Mostoufi |
| Publisher | : Academic Press |
| Total Pages | : 503 |
| Release | : 2022-05-22 |
| Genre | : Technology & Engineering |
| ISBN | : 0128229349 |
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
| Author | : Mario César Suárez Arriaga |
| Publisher | : CRC Press |
| Total Pages | : 496 |
| Release | : 2008-12-01 |
| Genre | : Technology & Engineering |
| ISBN | : 0203886224 |
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
| Author | : Richard G. Rice |
| Publisher | : |
| Total Pages | : 728 |
| Release | : 1995 |
| Genre | : Mathematics |
| ISBN | : |
Demonstrating the international experience of its contributors, this text is applicable to mathematical modelling, numerical methods or advanced maths courses in chemical engineering departments. It contains both classic and contemporary mathematical methods.
| Author | : Kai Velten |
| Publisher | : John Wiley & Sons |
| Total Pages | : 362 |
| Release | : 2009-06-01 |
| Genre | : Science |
| ISBN | : 3527627618 |
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).
| Author | : Björn Engquist |
| Publisher | : Springer Science & Business Media |
| Total Pages | : 332 |
| Release | : 2009-02-11 |
| Genre | : Computers |
| ISBN | : 3540888578 |
Most problems in science involve many scales in time and space. An example is turbulent ?ow where the important large scale quantities of lift and drag of a wing depend on the behavior of the small vortices in the boundarylayer. Another example is chemical reactions with concentrations of the species varying over seconds and hours while the time scale of the oscillations of the chemical bonds is of the order of femtoseconds. A third example from structural mechanics is the stress and strain in a solid beam which is well described by macroscopic equations but at the tip of a crack modeling details on a microscale are needed. A common dif?culty with the simulation of these problems and many others in physics, chemistry and biology is that an attempt to represent all scales will lead to an enormous computational problem with unacceptably long computation times and large memory requirements. On the other hand, if the discretization at a coarse level ignoresthe?nescale informationthenthesolutionwillnotbephysicallymeaningful. The in?uence of the ?ne scales must be incorporated into the model. This volume is the result of a Summer School on Multiscale Modeling and S- ulation in Science held at Boso ¤n, Lidingo ¤ outside Stockholm, Sweden, in June 2007. Sixty PhD students from applied mathematics, the sciences and engineering parti- pated in the summer school.
| Author | : Raúl Toral |
| Publisher | : John Wiley & Sons |
| Total Pages | : 518 |
| Release | : 2014-06-26 |
| Genre | : Science |
| ISBN | : 3527683127 |
Stochastic Numerical Methods introduces at Master level the numerical methods that use probability or stochastic concepts to analyze random processes. The book aims at being rather general and is addressed at students of natural sciences (Physics, Chemistry, Mathematics, Biology, etc.) and Engineering, but also social sciences (Economy, Sociology, etc.) where some of the techniques have been used recently to numerically simulate different agent-based models. Examples included in the book range from phase-transitions and critical phenomena, including details of data analysis (extraction of critical exponents, finite-size effects, etc.), to population dynamics, interfacial growth, chemical reactions, etc. Program listings are integrated in the discussion of numerical algorithms to facilitate their understanding. From the contents: Review of Probability Concepts Monte Carlo Integration Generation of Uniform and Non-uniform Random Numbers: Non-correlated Values Dynamical Methods Applications to Statistical Mechanics Introduction to Stochastic Processes Numerical Simulation of Ordinary and Partial Stochastic Differential Equations Introduction to Master Equations Numerical Simulations of Master Equations Hybrid Monte Carlo Generation of n-Dimensional Correlated Gaussian Variables Collective Algorithms for Spin Systems Histogram Extrapolation Multicanonical Simulations
| Author | : M. Defranceschi |
| Publisher | : Springer Science & Business Media |
| Total Pages | : 247 |
| Release | : 2012-12-06 |
| Genre | : Science |
| ISBN | : 3642572375 |
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.
| Author | : Vladimir Ivanovitch Kodolov |
| Publisher | : CRC Press |
| Total Pages | : 428 |
| Release | : 2016-11-03 |
| Genre | : Mathematics |
| ISBN | : 1771883839 |
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.
| Author | : Kerstin Weinberg |
| Publisher | : Springer |
| Total Pages | : 310 |
| Release | : 2016-06-24 |
| Genre | : Science |
| ISBN | : 3319390228 |
This book provides readers with a detailed insight into diverse and exciting recent developments in computational solid mechanics, documenting new perspectives and horizons. The topics addressed cover a wide range of current research, from computational materials modeling, including crystal plasticity, micro-structured materials, and biomaterials, to multi-scale simulations of multi-physics phenomena. Particular emphasis is placed on pioneering discretization methods for the solution of coupled non-linear problems at different length scales. The book, written by leading experts, reflects the remarkable advances that have been made in the field over the past decade and more, largely due to the development of a sound mathematical background and efficient computational strategies. The contents build upon the 2014 IUTAM symposium celebrating the 60th birthday of Professor Michael Ortiz, to whom this book is dedicated. His work has long been recognized as pioneering and is a continuing source of inspiration for many researchers. It is hoped that by providing a "taste" of the field of computational mechanics, the book will promote its popularity among the mechanics and physics communities.
