Spectral Methods in Chemistry and Physics

Spectral Methods in Chemistry and Physics PDF Author: Bernard Shizgal
Publisher: Springer
ISBN: 9401794545
Category : Science
Languages : en
Pages : 431

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Book Description
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.

Spectral Methods in Chemistry and Physics

Spectral Methods in Chemistry and Physics PDF Author: Bernard Shizgal
Publisher: Springer
ISBN: 9401794545
Category : Science
Languages : en
Pages : 431

Get Book Here

Book Description
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.

Spectroscopic Methods of Analysis

Spectroscopic Methods of Analysis PDF Author: Gunter Zweig
Publisher: Elsevier
ISBN: 1483220869
Category : Science
Languages : en
Pages : 313

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Book Description
Analytical Methods for Pesticides and Plant Growth Regulators, Volume IX: Spectroscopic Methods of Analysis covers the progress in spectroscopic methods for pesticide analysis. The book discusses the use of high-pressure liquid chromatography coupled to mass spectrometry for the analysis of heat-labile compounds; and the applications of nuclear magnetic resonance spectroscopy and related techniques, and visible and ultraviolet spectrophotometry. The text also describes the applications of spectrophotofluorometry, infrared spectrometry, and a collection of infrared spectra of important pesticides. Toxicologists, chemists, and people working in pesticide laboratories will find the book invaluable.

Chemical Analysis and Material Characterization by Spectrophotometry

Chemical Analysis and Material Characterization by Spectrophotometry PDF Author: Bhim Prasad Kaflé
Publisher: Elsevier
ISBN: 0128148675
Category : Science
Languages : en
Pages : 314

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Book Description
Chemical Analysis and Material Characterization by Spectrophotometry integrates and presents the latest known information and examples from the most up-to-date literature on the use of this method for chemical analysis or materials characterization. Accessible to various levels of expertise, everyone from students, to practicing analytical and industrial chemists, the book covers both the fundamentals of spectrophotometry and instrumental procedures for quantitative analysis with spectrophotometric techniques. It contains a wealth of examples and focuses on the latest research, such as the investigation of optical properties of nanomaterials and thin solid films. - Covers the basic analytical theory that is essential for understanding spectrophotometry - Emphasizes minor/trace chemical component analysis - Includes the spectrophotometric analysis of nanomaterials and thin solid films - Thoroughly describes methods and uses easy-to-follow, practical examples and experiments

Quantitative Spectroscopy: Theory and Practice

Quantitative Spectroscopy: Theory and Practice PDF Author: Brian C. Smith
Publisher: Elsevier
ISBN: 0080515533
Category : Science
Languages : en
Pages : 214

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Book Description
The determination of the concentrations of molecules in samples has long been an important application of spectroscopy. In the last 20 years advances in algorithms, computers, instruments, and software have led to a growing interest in this field. These developments mean samples and analytes that were once considered intractable are increasingly yielding usable calibrations. The purpose of this book is to give readers, without an advanced math background, a thorough grounding in the theory and practice of modern quantitative spectroscopic analysis. The author has placed great emphasis on providing the reader with everything they need to know to obtain a fundamental understanding of quantitative spectroscopy.·Relevant theory is explained in an easy to understand, conversational style. ·Actual spectroscopic data and calibrations are used throughout the book to show how real world calibrations are achieved. ·The complexities of Factor Analysis (PCR/PLS) algorithms are explained in pictures and words, making them understandable for all. ·Written from a spectroscopic rather than a mathematical point of view.·Relevant theory is interspersed with practical discussions in order to make difficult concepts easier to comprehend·It is a comprehensive introduction for novices, and an excellent reference for experts.·Topics on spectroscopy are included to emphasize its importance in quantitative spectroscopy

Spectroscopic Methods in Organic Chemistry

Spectroscopic Methods in Organic Chemistry PDF Author: Dudley H. Williams
Publisher: McGraw-Hill Companies
ISBN:
Category : Science
Languages : en
Pages : 268

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Book Description


Spectral Methods in Food Analysis

Spectral Methods in Food Analysis PDF Author: Mossoba
Publisher: CRC Press
ISBN: 9780824702236
Category : Technology & Engineering
Languages : en
Pages : 484

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Book Description
Outlines the basic principles, advanced instrumentation, applications and future potential of a range of spectral techniques in food analysis. The book introduces new applications of GC-MS, LC-MS, MALDI TOF-MS, GC-FTIR, SFC-FTIR, ATR, and Raman spectroscopy. The book covers the identification and quantitation of food constituents, additives and contaminants.

Microscopy Techniques

Microscopy Techniques PDF Author: Jens Rietdorf
Publisher: Springer Science & Business Media
ISBN: 9783540236986
Category : Science
Languages : en
Pages : 344

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Book Description
With contributions by numerous experts

Tables of Spectral Data for Structure Determination of Organic Compounds

Tables of Spectral Data for Structure Determination of Organic Compounds PDF Author: Ernö Pretsch
Publisher: Springer Science & Business Media
ISBN: 3662224550
Category : Science
Languages : en
Pages : 325

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Book Description
Although numerical data are, in principle, universal, the compilations presented in this book are extensively annotated and interleaved with text. This translation of the second German edition has been prepared to facilitate the use of this work, with all its valuable detail, by the large community of English-speaking scientists. Translation has also provided an opportunity to correct and revise the text, and to update the nomenclature. Fortunately, spectroscopic data and their relationship with structure do not change much with time so one can predict that this book will, for a long period of time, continue to be very useful to organic chemists involved in the identification of organic compounds or the elucidation of their structure. Klaus Biemann Cambridge, MA, April 1983 Preface to the First German Edition Making use of the information provided by various spectroscopic tech niques has become a matter of routine for the analytically oriented organic chemist. Those who have graduated recently received extensive training in these techniques as part of the curriculum while their older colleagues learned to use these methods by necessity. One can, therefore, assume that chemists are well versed in the proper choice of the methods suitable for the solution of a particular problem and to translate the experimental data into structural information.

Introduction to Spectroscopy

Introduction to Spectroscopy PDF Author: Donald L. Pavia
Publisher:
ISBN: 9789865632021
Category : Organic compounds
Languages : en
Pages : 764

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Book Description


Chebyshev and Fourier Spectral Methods

Chebyshev and Fourier Spectral Methods PDF Author: John P. Boyd
Publisher: Courier Corporation
ISBN: 0486411834
Category : Mathematics
Languages : en
Pages : 690

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Book Description
Completely revised text focuses on use of spectral methods to solve boundary value, eigenvalue, and time-dependent problems, but also covers Hermite, Laguerre, rational Chebyshev, sinc, and spherical harmonic functions, as well as cardinal functions, linear eigenvalue problems, matrix-solving methods, coordinate transformations, methods for unbounded intervals, spherical and cylindrical geometry, and much more. 7 Appendices. Glossary. Bibliography. Index. Over 160 text figures.