On The Calculation Of Thermo Chemical Constants

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Thermochemical Properties Of Inorganic Substances

Author : I. Barin
ISBN : 9783662022931
Genre : Science
File Size : 48.66 MB
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For the practical application of thermochemistry to the development and control of tech nical processes, the data for as many substances as possible are needed in conjunction with rapid and simple methods of calculating equilibrium constants, heat balances and the EMF of galvanic cells. For these three types of calculation the following three ther modynamic functions are suitable: The Planck function, the enthalpy and the Gibbs free energy, which are here defined and tabulated as unambigous functions of temperature for pure substances. The first edition of the tables was published in 1973 under the title "Thermochemical Properties of Inorganic Substances". The present supplementary volume contains the data and functions for a further 800 inorganic substances. In addition, the data for about 250 substances from the first volume have been up-dated. These usually small corrections produce better consistency with the data from more recent publications. The comments of users and reviewers of the first volume have largely been concerned with the difference between the present thermodynamic functions and the system used in the JANAF tables, the somewhat unconventional handling of heat balances adopted here, the notation of cell reactions, the description of non-stoichiometric phases and the accuracy of the tabulated data. To answer these questions and criticims the theore tical concepts and the practical use of the tables are dealt with in more detail in the introduction, following the recommendation of some reviewers.
Category: Science

Euromat 99 Microstructures Mechanical Properties And Processes

Author : Deutsche Gesellschaft für Materialkunde
ISBN : 3527301224
Genre : Science
File Size : 82.93 MB
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The relation between microstructures and mechanical properties has always been a challenge for materials science. Modelling the formation, properties and long term stability of microstructures is one of the most impressive and promising advances of modern materials science. This book presents recent advances and challenges in this fast evolving cross disciplinary field. It addresses applications of classical physical metallurgy, and the need for new modelling approaches, both on the analytical viewpoint and on the simulation side.
Category: Science

Rate Constant Calculation For Thermal Reactions

Author : Herbert DaCosta
ISBN : 9781118166116
Genre : Science
File Size : 32.52 MB
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Providing an overview of the latest computational approaches to estimate rate constants for thermal reactions, this book addresses the theories behind various first-principle and approximation methods that have emerged in the last twenty years with validation examples. It presents in-depth applications of those theories to a wide range of basic and applied research areas. When doing modeling and simulation of chemical reactions (as in many other cases), one often has to compromise between higher-accuracy/higher-precision approaches (which are usually time-consuming) and approximate/lower-precision approaches (which often has the advantage of speed in providing results). This book covers both approaches. It is augmented by a wide-range of applications of the above methods to fuel combustion, unimolecular and bimolecular reactions, isomerization, polymerization, and to emission control of nitrogen oxides. An excellent resource for academics and industry members in physical chemistry, chemical engineering, and related fields.
Category: Science

Thermochemical Data Of Organic Compounds

Author : J. B. Pedley
ISBN : 9789400940994
Genre : Juvenile Nonfiction
File Size : 32.46 MB
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The purpose of the material in this book is to enable users of thermochemical data to predict values for standard enthalpies ofreactions involving organic compounds ranging in complex ity from simple alkanes to biologically important compounds such as amino acids. Chapter 1 contains tables of values for standard enthalpies of formation derived from experimental data for approximately 3000 organic compounds of the elements C, H, 0, N, S and halogens; Chapters 2 to 4 describe a simple scheme for predicting unknown values of standard enthalpies of formation. Data presented in the book are stored in a data base at the University of Sussex and with associated software provides a simple but efficient method for dealing with thermochemical problems in organic chemistry. The experimental data used in the computer calculation of the values for standard enthal pies of formation are clearly indicated in Table 1.2. Where alternative values for a given standard enthalpy of formation may be derived, from independent measurements, we have clearly indicated those which are regarded by the assessors as definitive and which are therefore used to derive the value for the compound concerned. We do not, however, give reasons for the assessors choice nor are details given of experimental techniques. The literature search for suitable references was discontinued in 1983 to allow development of the predictive scheme and the computer techniques for handling the data.
Category: Juvenile Nonfiction

Bridging The Time Scales

Author : Peter Nielaba
ISBN : 9783540458371
Genre : Science
File Size : 58.5 MB
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The behaviour of many complex materials extends over time- and lengthscales well beyond those that can normally be described using standard molecular dynamics or Monte Carlo simulation techniques. As progress is coming more through refined simulation methods than from increased computer power, this volume is intended as both an introduction and a review of all relevant modern methods that will shape molecular simulation in the forthcoming decade. Written as a set of tutorial reviews, the book will be of use to specialists and nonspecialists alike.
Category: Science

Trace Element Speciation Analytical Methods And Problems

Author : Graeme E. Batley
ISBN : 0849347122
Genre : Science
File Size : 82.74 MB
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This book discusses in detail the application of physical separation procedures together with modern instrumental analysis techniques such as HPLC, gas chromatography, and anodic strip-ping voltammetry. Particular emphasis is given to environmental samples where the greatest concern for the effects of speciation on trace element transport, toxicity, and bioavailability have been ex-pressed. Special chapters are also devoted to methods of sam-pling and storage, and to the mathematical modeling of chemical speciation. Although designed for the practical analytical chemist, this publication is essential reading for researchers in or entering the field of chemical speciation.
Category: Science

Geochemistry International

Author :
ISBN : UOM:39015072604534
Genre :
File Size : 40.64 MB
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Vols. for 1964-v. 2, no. 1, 1965 include selected articles translated from geochemical papers from other languages, but primarily from Russian, German, French and Japanese.


ISBN : 8120332962
Genre : Science
File Size : 68.38 MB
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Though thermodynamics is a tool used in all sciences and technologies, this book is especially designed to acquaint science students with the whole breadth of the subject covering both equilibrium and non-equilibrium regions. Equilibrium thermodynamics covered in the first-seven chapters caters to the needs of students up to the B.Sc./B.Sc. (Hons.) level. The next three chapters devoted to non-equilibrium thermodynamics and network thermodynamics fulfill the needs of the syllabi on these topics introduced in most universities at the postgraduate level. Chapters on ‘The Question of Ideality’ and ‘The Non-linear Region’ were the new additions to the second edition. In the third edition a new chapter on “Causality Principle in Non-equilibrium Thermodynamics” has been added. The readers may find the new chapter intellectually stimulating. The book is an accessible, straightforward discussion of basic topics, beginning with the laws of thermodynamics and focusing on derivations of basic relations. The text is suitably illustrated throughout with examples of various applications of interest to science students. It explains concepts systematically, teaches problem-solving meaningfully, and includes concept-elucidating questions that are intended to reinforce the student’s understanding of the material.
Category: Science