Download or read book Maths in Chemistry written by Prerna Bansal and published by Walter de Gruyter GmbH & Co KG. This book was released on 2024-09-02 with total page 216 pages. Available in PDF, EPUB and Kindle. Book excerpt: Numerical methods are the mathematical procedures that approximate the solution of complex mathematical problems into much simpler form and which find a wide variety of use while solving complex Physical Chemistry problems. This book aims to aide in understanding of such numerical methods including solving complex differential equations and numerical differentiation & integration. Moreover it also explains various statistical tests used in Analytical Chemistry for data analysis. The author has tried to include as many example from Chemistry problems for a better understanding of the methods.
Download or read book Numerical Methods with Chemical Engineering Applications written by Kevin D. Dorfman and published by Cambridge University Press. This book was released on 2017-01-11 with total page 513 pages. Available in PDF, EPUB and Kindle. Book excerpt: This undergraduate textbook integrates the teaching of numerical methods and programming with problems from core chemical engineering subjects.
Download or read book Numerical Methods for Chemical Engineers with MATLAB Applications written by A. Constantinides and published by Prentice Hall. This book was released on 1999 with total page 602 pages. Available in PDF, EPUB and Kindle. Book excerpt: Master numerical methods using MATLAB, today's leading software for problem solving. This complete guide to numerical methods in chemical engineering is the first to take full advantage of MATLAB's powerful calculation environment. Every chapter contains several examples using general MATLAB functions that implement the method and can also be applied to many other problems in the same category. The authors begin by introducing the solution of nonlinear equations using several standard approaches, including methods of successive substitution and linear interpolation; the Wegstein method, the Newton-Raphson method; the Eigenvalue method; and synthetic division algorithms. With these fundamentals in hand, they move on to simultaneous linear algebraic equations, covering matrix and vector operations; Cramer's rule; Gauss methods; the Jacobi method; and the characteristic-value problem. Additional coverage includes: Finite difference methods, and interpolation of equally and unequally spaced points Numerical differentiation and integration, including differentiation by backward, forward, and central finite differences; Newton-Cotes formulas; and the Gauss Quadrature Two detailed chapters on ordinary and partial differential equations Linear and nonlinear regression analyses, including least squares, estimated vector of parameters, method of steepest descent, Gauss-Newton method, Marquardt Method, Newton Method, and multiple nonlinear regression The numerical methods covered here represent virtually all of those commonly used by practicing chemical engineers. The focus on MATLAB enables readers to accomplish more, with less complexity, than was possible with traditional FORTRAN. For those unfamiliar with MATLAB, a brief introduction is provided as an Appendix. Over 60+ MATLAB examples, methods, and function scripts are covered, and all of them are included on the book's CD
Download or read book Modeling of Atmospheric Chemistry written by Guy P. Brasseur and published by Cambridge University Press. This book was released on 2017-06-19 with total page 631 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mathematical modeling of atmospheric composition is a formidable scientific and computational challenge. This comprehensive presentation of the modeling methods used in atmospheric chemistry focuses on both theory and practice, from the fundamental principles behind models, through to their applications in interpreting observations. An encyclopaedic coverage of methods used in atmospheric modeling, including their advantages and disadvantages, makes this a one-stop resource with a large scope. Particular emphasis is given to the mathematical formulation of chemical, radiative, and aerosol processes; advection and turbulent transport; emission and deposition processes; as well as major chapters on model evaluation and inverse modeling. The modeling of atmospheric chemistry is an intrinsically interdisciplinary endeavour, bringing together meteorology, radiative transfer, physical chemistry and biogeochemistry, making the book of value to a broad readership. Introductory chapters and a review of the relevant mathematics make this book instantly accessible to graduate students and researchers in the atmospheric sciences.
Download or read book Numerical Methods for Chemical Engineering written by Kenneth J. Beers and published by Cambridge University Press. This book was released on 2007 with total page 496 pages. Available in PDF, EPUB and Kindle. Book excerpt: Applications of numerical mathematics and scientific computing to chemical engineering.
Download or read book Numerical Techniques for Chemical and Biological Engineers Using MATLAB written by Said S.E.H. Elnashaie and published by Springer Science & Business Media. This book was released on 2007-03-12 with total page 595 pages. Available in PDF, EPUB and Kindle. Book excerpt: This interdisciplinary book presents numerical techniques needed for chemical and biological engineers using Matlab. The book begins by exploring general cases, and moves on to specific ones. The text includes a large number of detailed illustrations, exercises and industrial examples. The book provides detailed mathematics and engineering background in the appendixes, including an introduction to Matlab. The text will be useful to undergraduate students in chemical/biological engineering, and in applied mathematics and numerical analysis.
Download or read book Computational Chemistry written by Anthony Charles Norris and published by John Wiley & Sons. This book was released on 1981 with total page 482 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book A Numerical Primer for the Chemical Engineer Second Edition written by Edwin Zondervan and published by CRC Press. This book was released on 2019-08-16 with total page 192 pages. Available in PDF, EPUB and Kindle. Book excerpt: Designed as an introduction to numerical methods for students, this book combines mathematical correctness with numerical performance, and concentrates on numerical methods and problem solving. It applies actual numerical solution strategies to formulated process models to help identify and solve chemical engineering problems. Second edition comes with additional chapter on numerical integration and section on boundary value problems in the relevant chapter. Additional material on general modelling principles, mass/energy balances and separate section on DAE’s is also included. Case study section has been extended with additional examples.
Download or read book Numerical Methods for Solving Partial Differential Equations written by George F. Pinder and published by John Wiley & Sons. This book was released on 2018-02-05 with total page 414 pages. Available in PDF, EPUB and Kindle. Book excerpt: A comprehensive guide to numerical methods for simulating physical-chemical systems This book offers a systematic, highly accessible presentation of numerical methods used to simulate the behavior of physical-chemical systems. Unlike most books on the subject, it focuses on methodology rather than specific applications. Written for students and professionals across an array of scientific and engineering disciplines and with varying levels of experience with applied mathematics, it provides comprehensive descriptions of numerical methods without requiring an advanced mathematical background. Based on its author’s more than forty years of experience teaching numerical methods to engineering students, Numerical Methods for Solving Partial Differential Equations presents the fundamentals of all of the commonly used numerical methods for solving differential equations at a level appropriate for advanced undergraduates and first-year graduate students in science and engineering. Throughout, elementary examples show how numerical methods are used to solve generic versions of equations that arise in many scientific and engineering disciplines. In writing it, the author took pains to ensure that no assumptions were made about the background discipline of the reader. Covers the spectrum of numerical methods that are used to simulate the behavior of physical-chemical systems that occur in science and engineering Written by a professor of engineering with more than forty years of experience teaching numerical methods to engineers Requires only elementary knowledge of differential equations and matrix algebra to master the material Designed to teach students to understand, appreciate and apply the basic mathematics and equations on which Mathcad and similar commercial software packages are based Comprehensive yet accessible to readers with limited mathematical knowledge, Numerical Methods for Solving Partial Differential Equations is an excellent text for advanced undergraduates and first-year graduate students in the sciences and engineering. It is also a valuable working reference for professionals in engineering, physics, chemistry, computer science, and applied mathematics.
Download or read book Numerical Methods for Chemical Engineers Using Excel VBA and MATLAB written by Victor J. Law and published by CRC Press. This book was released on 2013-03-05 with total page 249 pages. Available in PDF, EPUB and Kindle. Book excerpt: While teaching the Numerical Methods for Engineers course over the last 15 years, the author found a need for a new textbook, one that was less elementary, provided applications and problems better suited for chemical engineers, and contained instruction in Visual Basic for Applications (VBA). This led to six years of developing teaching notes that
Download or read book Introduction to Modeling and Numerical Methods for Biomedical and Chemical Engineers written by Edward Gatzke and published by Springer Nature. This book was released on with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook introduces the concepts and tools that biomedical and chemical engineering students need to know in order to translate engineering problems into a numerical representation using scientific fundamentals. Modeling concepts focus on problems that are directly related to biomedical and chemical engineering. A variety of computational tools are presented, including MATLAB, Excel, Mathcad, and COMSOL, and a brief introduction to each tool is accompanied by multiple computer lab experiences. The numerical methods covered are basic linear algebra and basic statistics, and traditional methods like Newton's method, Euler Integration, and trapezoidal integration. The book presents the reader with numerous examples and worked problems, and practice problems are included at the end of each chapter. Focuses on problems and methods unique to biomedical and chemical engineering; Presents modeling concepts drawn from chemical, mechanical, and materials engineering; Ancillary materials include lecture notes and slides and online videos that enable a flipped classroom or individual study.
Download or read book Mathematical Methods for Physical and Analytical Chemistry written by David Z. Goodson and published by John Wiley & Sons. This book was released on 2011-11-14 with total page 408 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mathematical Methods for Physical and Analytical Chemistry presents mathematical and statistical methods to students of chemistry at the intermediate, post-calculus level. The content includes a review of general calculus; a review of numerical techniques often omitted from calculus courses, such as cubic splines and Newton’s method; a detailed treatment of statistical methods for experimental data analysis; complex numbers; extrapolation; linear algebra; and differential equations. With numerous example problems and helpful anecdotes, this text gives chemistry students the mathematical knowledge they need to understand the analytical and physical chemistry professional literature.
Download or read book Tensor Numerical Methods in Quantum Chemistry written by Venera Khoromskaia and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-06-11 with total page 343 pages. Available in PDF, EPUB and Kindle. Book excerpt: The conventional numerical methods when applied to multidimensional problems suffer from the so-called "curse of dimensionality", that cannot be eliminated by using parallel architectures and high performance computing. The novel tensor numerical methods are based on a "smart" rank-structured tensor representation of the multivariate functions and operators discretized on Cartesian grids thus reducing solution of the multidimensional integral-differential equations to 1D calculations. We explain basic tensor formats and algorithms and show how the orthogonal Tucker tensor decomposition originating from chemometrics made a revolution in numerical analysis, relying on rigorous results from approximation theory. Benefits of tensor approach are demonstrated in ab-initio electronic structure calculations. Computation of the 3D convolution integrals for functions with multiple singularities is replaced by a sequence of 1D operations, thus enabling accurate MATLAB calculations on a laptop using 3D uniform tensor grids of the size up to 1015. Fast tensor-based Hartree-Fock solver, incorporating the grid-based low-rank factorization of the two-electron integrals, serves as a prerequisite for economical calculation of the excitation energies of molecules. Tensor approach suggests efficient grid-based numerical treatment of the long-range electrostatic potentials on large 3D finite lattices with defects.The novel range-separated tensor format applies to interaction potentials of multi-particle systems of general type opening the new prospects for tensor methods in scientific computing. This research monograph presenting the modern tensor techniques applied to problems in quantum chemistry may be interesting for a wide audience of students and scientists working in computational chemistry, material science and scientific computing.
Download or read book Computational Methods in Chemical Engineering with Maple written by Ralph E. White and published by Springer Science & Business Media. This book was released on 2010-02-06 with total page 871 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents Maple solutions to a wide range of problems relevant to chemical engineers and others. Many of these solutions use Maple’s symbolic capability to help bridge the gap between analytical and numerical solutions. The readers are strongly encouraged to refer to the references included in the book for a better understanding of the physics involved, and for the mathematical analysis. This book was written for a senior undergraduate or a first year graduate student course in chemical engineering. Most of the examples in this book were done in Maple 10. However, the codes should run in the most recent version of Maple. We strongly encourage the readers to use the classic worksheet (*. mws) option in Maple as we believe it is more user-friendly and robust. In chapter one you will find an introduction to Maple which includes simple basics as a convenience for the reader such as plotting, solving linear and nonlinear equations, Laplace transformations, matrix operations, ‘do loop,’ and ‘while loop. ’ Chapter two presents linear ordinary differential equations in section 1 to include homogeneous and nonhomogeneous ODEs, solving systems of ODEs using the matrix exponential and Laplace transform method. In section two of chapter two, nonlinear ordinary differential equations are presented and include simultaneous series reactions, solving nonlinear ODEs with Maple’s ‘dsolve’ command, stop conditions, differential algebraic equations, and steady state solutions. Chapter three addresses boundary value problems.
Download or read book An Introduction to Numerical Methods for Chemical Engineers written by James B. Riggs and published by . This book was released on 1994 with total page 498 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this second edition of An Introduction to Numerical Methods for Chemical Engineers the author has revised text, added new problems, and updated the accompanying computer programs. The result is a text that puts students on the cutting-edge of solving relevant chemical engineering problems.Designed explicitly for undergraduates, this book provides students with software and experience to solve a number of problems.Included in the text are: Numerical algorithms in explicit detail. Example problems from thermodynamic, fluid flow, heat transfer, mass transfer, kinetics, and process design. Equations developed specifically for the student from the example problems. An introduction to advanced numerical techniques, such as finite elements, singular value decomposition, and arc length homotopy. An introduction to optimization. A systematic approach to process modeling presented with advanced modeling examples. The software that accompanies the book is for IBM-compatible PCs. A solution manual is also available upon request.An Introduction to Numerical Methods for Chemical Engineers was first published in 1988 and has been taught in universities throughout the nation.
Download or read book INTRODUCTION TO NUMERICAL METHODS IN CHEMICAL ENGINEERING SECOND EDITION written by AHUJA, PRADEEP and published by PHI Learning Pvt. Ltd.. This book was released on 2019-08-01 with total page 520 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is an exhaustive presentation of the applications of numerical methods in chemical engineering. Intended primarily as a textbook for B.E./B.Tech and M.Tech students of chemical engineering, the book will also be useful for research and development/process professionals in the fields of chemical, biochemical, mechanical and biomedical engineering. The book, now, in its second edition, comprises three parts. Part I on General Chemical Engineering is same as given in the first edition of the book. It explains solving linear and non-linear algebraic equations, chemical engineering thermodynamics problems, initial value problems, boundary value problems and topics related to chemical reaction, dispersion and diffusion as well as steady and transient heat conduction. Whereas, Part II and Part III comprising two chapters and six chapters, respectively, are newly introduced in the present edition. Besides, three appendices covering computer programs have been included. For practice, the book provides students with numerous worked-out examples and chapter-end exercises including their answers. NEW TO THE SECOND EDITION • Part II on Fixed Bed Catalytic Reactor consists of solving multiple gas phase reactions in a PFR, diffusion and multiple reactions in a catalytic pellet, and fixed bed catalytic reactor with multiple reactions. • Part III on Multicomponent Distillation consists of solving vapour-liquid-liquid isothermal flash using NRTL model, adiabatic flash using Wilson model, bubble point method, theta method and Naphtali-Sandholm method for distillation using modified Raoult's law with Wilson activity coefficient model.
Download or read book Spectral Methods in Chemistry and Physics written by Bernard Shizgal and published by Springer. This book was released on 2015-01-07 with total page 431 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a pedagogical presentation of the application of spectral and pseudospectral methods to kinetic theory and quantum mechanics. There are additional applications to astrophysics, engineering, biology and many other fields. The main objective of this book is to provide the basic concepts to enable the use of spectral and pseudospectral methods to solve problems in diverse fields of interest and to a wide audience. While spectral methods are generally based on Fourier Series or Chebychev polynomials, non-classical polynomials and associated quadratures are used for many of the applications presented in the book. Fourier series methods are summarized with a discussion of the resolution of the Gibbs phenomenon. Classical and non-classical quadratures are used for the evaluation of integrals in reaction dynamics including nuclear fusion, radial integrals in density functional theory, in elastic scattering theory and other applications. The subject matter includes the calculation of transport coefficients in gases and other gas dynamical problems based on spectral and pseudospectral solutions of the Boltzmann equation. Radiative transfer in astrophysics and atmospheric science, and applications to space physics are discussed. The relaxation of initial non-equilibrium distributions to equilibrium for several different systems is studied with the Boltzmann and Fokker-Planck equations. The eigenvalue spectra of the linear operators in the Boltzmann, Fokker-Planck and Schrödinger equations are studied with spectral and pseudospectral methods based on non-classical orthogonal polynomials. The numerical methods referred to as the Discrete Ordinate Method, Differential Quadrature, the Quadrature Discretization Method, the Discrete Variable Representation, the Lagrange Mesh Method, and others are discussed and compared. MATLAB codes are provided for most of the numerical results reported in the book - see Link under 'Additional Information' on the the right-hand column.
