Download or read book Computer Program for Calculation of Complex Chemical Equilibrium Compositions Rocket Performance Incident and Reflected Shocks and Chapman Jouguet Detonations written by Sanford Gordon and published by . This book was released on 1980 with total page 156 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computer Program for Calculation of Complex Chemical Equilibrium Compositions and Applications written by Bonnie J. McBride and published by . This book was released on 1996 with total page 188 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Entropies of Condensed Phases and Complex Systems written by Christian Spickermann and published by Springer Science & Business Media. This book was released on 2011-01-18 with total page 233 pages. Available in PDF, EPUB and Kindle. Book excerpt: Predicting thermodynamic quantities for chemically realistic systems on the basis of atomistic calculations is still, even today, a nontrivial task. Nonetheless, accurate treatment of inter-particle interactions, in terms of quantum chemical first principles methods, is a prerequisite for many applications, because of the complexity of both reactants and solvents in modern molecular sciences. Currently, a straightforward calculation of thermodynamic properties from these methods is only possible for high-temperature and low- density systems. Although the enthalpy of a system can often be predicted to a good level of precision with this ideal gas approach, calculating the entropy contribution to the free energy is problematic, especially as the density of the system increases. This thesis contains a compact and coherent introduction of basic theoretical features. The foundations are then laid for the development of approaches suitable for calculation of condensed phase entropies on the basis of well-established quantum chemical methods. The main emphasis of this work is on realistic systems in solution, which is the most important environment for chemical synthesis. The presented results demonstrate how isolated molecular concepts typically employed in modern quantum chemistry can be extended for the accurate determination of thermodynamic properties by means of scale- transferring approaches.
Download or read book Masters Theses in the Pure and Applied Sciences written by W. H. Shafer and published by Springer Science & Business Media. This book was released on 2013-03-14 with total page 307 pages. Available in PDF, EPUB and Kindle. Book excerpt: Masters Theses in the Pure and Applied Sciences was first conceived, published, and dis seminated by the Center for Information and Numerical Data Analysis and Synthesis (CINDAS) * at Purdue University in 1957, starting its coverage of theses with the academic year 1955. Beginning with Volume 13, the printing and dissemination phases of the ac tivity were transferred to University Microfilms/Xerox of Ann Arbor, Michigan, with the thought that such an arrangement would be more beneficial to the academic and general scientific and technical community. After five years of this joint undertaking we had concluded that it was in the interest of all concerned if the printing and distribution of the volume were handled by an international publishing house to assure improved service and broader dissemination. Hence, starting with Volume 18, Masters Theses in the Pure and Applied Sciences has been disseminated on a worldwide basis by Plenum Publishing Corporation of New York, and in the same year the coverage was broadened to include Canadian universities. All back issues can also be ordered from Plenum. We have reported in Volume 24 (thesis year 1979) a total of 10,033 theses titles from 26 Canadian and 215 United States universities. We are sure that this broader base for theses titles reported will greatly enhance the value of this important annual reference work. While Volume 24 reports these submitted in 1979, on occasion, certain universities do report theses submitted in previous years but not reported at the time.
Download or read book Fundamentals and Practice in Statistical Thermodynamics written by Jianzhong Wu and published by John Wiley & Sons. This book was released on 2024-08-20 with total page 773 pages. Available in PDF, EPUB and Kindle. Book excerpt: Bridge the gap between thermodynamic theory and engineering practice with this essential textbook Thermodynamics is a discipline which straddles the fields of chemistry, physics, and engineering, and has long been a mainstay of undergraduate and graduate curricula. Conventional thermodynamics courses, however, often ignore modern developments in statistical mechanics, such as molecular simulation methods, cooperative phenomena, phase transitions, universality, as well as liquid-state and polymer theories, despite their close relevance to both fundamental research and engineering practice. Fundamentals and Practice in Statistical Thermodynamics fills this gap with an essential book that applies up-to-date statistical-mechanical techniques to address the most crucial thermodynamics problems found in chemical and materials systems. It is ideally suited to introduce a new generation of researchers and molecular engineers to modern thermodynamic topics with numerous cutting-edge applications. From Fundamentals and Practice in Statistical Thermodynamics readers will also find: An introduction to statistical-mechanical methods including molecular dynamics simulation, Monte Carlo simulation, as well as the molecular theories of phase transitions, classical fluids, electrolyte solutions, polymeric materials, and more Illustrative examples and exercise problems with solutions to facilitate student understanding Supplementary online materials covering the basics of quantum mechanics, density functional theory, variational principles of classical mechanics, intermolecular interactions, and many more subjects Fundamentals and Practice in Statistical Thermodynamics is ideal for graduate and advanced undergraduate students in chemical engineering, biomolecular engineering, environmental engineering, materials science and engineering, and all related scientific subfields of physics and chemistry.
Download or read book Phase Equilibria Phase Diagrams and Phase Transformations written by Mats Hillert and published by Cambridge University Press. This book was released on 2007-11-22 with total page 525 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational tools allow material scientists to model and analyze increasingly complicated systems to appreciate material behavior. Accurate use and interpretation however, requires a strong understanding of the thermodynamic principles that underpin phase equilibrium, transformation and state. This fully revised and updated edition covers the fundamentals of thermodynamics, with a view to modern computer applications. The theoretical basis of chemical equilibria and chemical changes is covered with an emphasis on the properties of phase diagrams. Starting with the basic principles, discussion moves to systems involving multiple phases. New chapters cover irreversible thermodynamics, extremum principles, and the thermodynamics of surfaces and interfaces. Theoretical descriptions of equilibrium conditions, the state of systems at equilibrium and the changes as equilibrium is reached, are all demonstrated graphically. With illustrative examples - many computer calculated - and worked examples, this textbook is an valuable resource for advanced undergraduates and graduate students in materials science and engineering.
Download or read book Chemical Thermodynamics written by W.J. Rankin and published by CRC Press. This book was released on 2019-11-11 with total page 354 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book develops the theory of chemical thermodynamics from first principles, demonstrates its relevance across scientific and engineering disciplines, and shows how thermodynamics can be used as a practical tool for understanding natural phenomena and developing and improving technologies and products. Concepts such as internal energy, enthalpy, entropy, and Gibbs energy are explained using ideas and experiences familiar to students, and realistic examples are given so the usefulness and pervasiveness of thermodynamics becomes apparent. The worked examples illustrate key ideas and demonstrate important types of calculations, and the problems at the end of chapters are designed to reinforce important concepts and show the broad range of applications. Most can be solved using digitized data from open access databases and a spreadsheet. Answers are provided for the numerical problems. A particular theme of the book is the calculation of the equilibrium composition of systems, both reactive and non-reactive, and this includes the principles of Gibbs energy minimization. The overall approach leads to the intelligent use of thermodynamic software packages but, while these are discussed and their use demonstrated, they are not the focus of the book, the aim being to provide the necessary foundations. Another unique aspect is the inclusion of three applications chapters: heat and energy aspects of processing; the thermodynamics of metal production and recycling; and applications of electrochemistry. This book is aimed primarily at students of chemistry, chemical engineering, applied science, materials science, and metallurgy, though it will be also useful for students undertaking courses in geology and environmental science. A solutions manual is available for instructors.
Download or read book Chemical Reaction Equilibrium Analysis written by William R. Smith and published by . This book was released on 1982-10-27 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt: Good,No Highlights,No Markup,all pages are intact, Slight Shelfwear,may have the corners slightly dented, may have slight color changes/slightly damaged spine.
Download or read book Federal Software Exchange Catalog written by and published by . This book was released on 1986 with total page 88 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Theory and Applications of Computational Chemistry written by Clifford Dykstra and published by Elsevier. This book was released on 2011-10-13 with total page 1336 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational chemistry is a means of applying theoretical ideas using computers and a set of techniques for investigating chemical problems within which common questions vary from molecular geometry to the physical properties of substances. Theory and Applications of Computational Chemistry: The First Forty Years is a collection of articles on the emergence of computational chemistry. It shows the enormous breadth of theoretical and computational chemistry today and establishes how theory and computation have become increasingly linked as methodologies and technologies have advanced. Written by the pioneers in the field, the book presents historical perspectives and insights into the subject, and addresses new and current methods, as well as problems and applications in theoretical and computational chemistry. Easy to read and packed with personal insights, technical and classical information, this book provides the perfect introduction for graduate students beginning research in this area. It also provides very readable and useful reviews for theoretical chemists.* Written by well-known leading experts * Combines history, personal accounts, and theory to explain much of the field of theoretical and compuational chemistry* Is the perfect introduction to the field
Download or read book Proceedings of the Symposium on High Temperature Lamp Chemistry II written by E. G. Zubler and published by . This book was released on 1988 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1995 with total page 692 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Characterization of High Temperature Vapors and Gases written by John W. Hastie and published by . This book was released on 1979 with total page 936 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book The Handbook of Infrared and Raman Characteristic Frequencies of Organic Molecules written by Daimay Lin-Vien and published by Elsevier. This book was released on 1991-12-02 with total page 522 pages. Available in PDF, EPUB and Kindle. Book excerpt: This necessary desk reference for every practicing spectroscopist represents the first definitive book written specifically to integrate knowledge about group frequencies in infrared as well as Raman spectra. In the spirit of previous classics developed by Bellamy and others, this volume has expanded its scope and updated its coverage. In addition to detailing characteristic group frequencies of compounds from a comprehensive assortment of categories, the book includes a collection of spectra and a literature search conducted to verify existing correlations and to determine ways to enhance correlations between vibrational frequencies and molecular structure. Particular attention has been given to the correlation between Raman characteristic frequencies and molecular structure. - Constitutes a necessary reference for every practicing vibrational spectroscopist - Provides the new definitive text on characteristic frequencies of organic molecules - Incorporates group frequencies for both infrared and Raman spectra - Details the characteristic IR and Raman frequencies of compounds in more than twenty major categories - Includes an extensive collection of spectra - Compiled by internationally recognized experts
Download or read book Encyclopedia of Polymer Science and Technology Concise written by Herman F. Mark and published by John Wiley & Sons. This book was released on 2013-10-16 with total page 1490 pages. Available in PDF, EPUB and Kindle. Book excerpt: The compact, affordable reference, revised and updated The Encyclopedia of Polymer Science and Technology, Concise Third Edition provides the key information from the complete, twelve-volume Mark's Encyclopedia in an affordable, condensed format. Completely revised and updated, this user-friendly desk reference offers quick access to all areas of polymer science, including important advances in nanotechnology, imaging and analytical techniques, controlled polymer architecture, biomimetics, and more, all in one volume. Like the twelve-volume full edition, the Encyclopedia of Polymer Science and Technology, Concise Third Edition provides both SI and common units, carefully selected key references for each article, and hundreds of tables, charts, figures, and graphs.
Download or read book Crystal Growth written by C. H. L. Goodman and published by Springer. This book was released on 2013-04-17 with total page 305 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the last decade or so the growth of single crystals has assumed enormous importance for both academic research, and technology (particu larly in the field of 'electronics'). The range of fields involved is great: from electro-optics to metal corrosion, from semiconductors to magnetic bubble materials-one can add to the list almost indefinitely. However, while the general principles of crystal growth can be applied aImost right across the board, it turns out that the precise way in which one can grow a particular crystal best varies considerably from material to material. This, of course, is to emphasise the obvious; nonetheless, except in specialised papers in the scientific litera ture , little attempt seems to have been made to deal in any detail with the causes of the difficulties in growing particular kinds of materials and with methods of circumventing them. These specialised papers may be inaccessible, and in any case cannot be, usually, very broad in scope or detailed in treatment simply because of the pressure to keep papers short. And unfortunately few specialised monographs seem to have been produced. These points and others similar emerged repeatedly in discussions with crystal growers from aU parts of the World and indicated that there was a need for a publication which would deal in detail with problems and techniques for specialised areas of crystal growth.
Download or read book A Directory of Computer Software written by and published by . This book was released on 1989 with total page 680 pages. Available in PDF, EPUB and Kindle. Book excerpt:
