Entropies Of Condensed Phases And Complex Systems
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Entropies Of Condensed Phases And Complex Systems
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Author : Christian Spickermann
language : en
Publisher: Springer Science & Business Media
Release Date : 2011-01-18
Entropies Of Condensed Phases And Complex Systems written by Christian Spickermann and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-01-18 with Science categories.
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.
Entropies Of Condensed Phases And Complex Systems
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Author : Christian Spickermann
language : en
Publisher:
Release Date : 2011
Entropies Of Condensed Phases And Complex Systems written by Christian Spickermann and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011 with categories.
First Principles Approaches To The Entropy Of Condensed Phases And Complex Systems
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Author : Christian Spickermann
language : de
Publisher:
Release Date : 2010
First Principles Approaches To The Entropy Of Condensed Phases And Complex Systems written by Christian Spickermann and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010 with categories.
Decoherence And Entropy In Complex Systems
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Author : Hans-Thomas Elze
language : en
Publisher: Springer Science & Business Media
Release Date : 2004-01-20
Decoherence And Entropy In Complex Systems written by Hans-Thomas Elze and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2004-01-20 with Technology & Engineering categories.
The contributions to this volume are based on selected lectures from the first international workshop on decoherence, information, complexity and entropy (DICE). The aim of this volume is to reflect the growing importance ot common concepts behind seemingly different fields such as quantum mechanics, general relativity and statistical physics in a form accessible to nonspecialist researchers. Many presentations include original results which published here for the first time.
Computational Quantum Chemistry
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Author : Masoud Soroush
language : en
Publisher: Elsevier
Release Date : 2018-10-16
Computational Quantum Chemistry written by Masoud Soroush and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-10-16 with Science categories.
Computational Quantum Chemistry: Insights into Polymerization Reactions consolidates extensive research results, couples them with computational quantum chemistry (CQC) methods applicable to polymerization reactions, and presents those results systematically. CQC has advanced polymer reaction engineering considerably for the past two decades. The book puts these advances into perspective. It also allows you to access the most up-to-date research and CQC methods applicable to polymerization reactions in a single volume. The content is rigorous yet accessible to graduate students as well as researchers who need a reference of state-of-the-art CQC methods with polymerization applications. Consolidates more than 10 years of theoretical polymerization reaction research currently scattered across journal articles Accessibly presents CQC methods applicable to polymerization reactions Provides researchers with a one-stop source of the latest theoretical developments in polymer reaction engineering
Mathematical Modelling Of Gas Phase Complex Reaction Systems Pyrolysis And Combustion
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Author :
language : en
Publisher: Elsevier
Release Date : 2019-06-06
Mathematical Modelling Of Gas Phase Complex Reaction Systems Pyrolysis And Combustion written by and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-06-06 with Technology & Engineering categories.
Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion, Volume 45, gives an overview of the different steps involved in the development and application of detailed kinetic mechanisms, mainly relating to pyrolysis and combustion processes. The book is divided into two parts that cover the chemistry and kinetic models and then the numerical and statistical methods. It offers a comprehensive coverage of the theory and tools needed, along with the steps necessary for practical and industrial applications. Details thermochemical properties and "ab initio" calculations of elementary reaction rates Details kinetic mechanisms of pyrolysis and combustion processes Explains experimental data for improving reaction models and for kinetic mechanisms assessment Describes surrogate fuels and molecular reconstruction of hydrocarbon liquid mixtures Describes pollutant formation in combustion systems Solves and validates the kinetic mechanisms using numerical and statistical methods Outlines optimal design of industrial burners and optimization and dynamic control of pyrolysis furnaces Outlines large eddy simulation of turbulent reacting flows
Linking The Gaseous And Condensed Phases Of Matter
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Author : Loucas G. Christophorou
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Linking The Gaseous And Condensed Phases Of Matter written by Loucas G. Christophorou and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
The Advanced Study Institute (ASI) on "Linking the Gaseous and Condensed Phases of Matter: The Behavior of Slow Electrons" was held at Patras, Greece, September 5-18, 1993. The organizers of the Patras ASI felt that the study of the electronic properties of matter in various states of aggregation has advanced to a point where further progress required the interfacing of the phases of matter in order to find out and to understand how the microscopic and macroscopic properties of materials and processes change as we go from low pressure gas to the condensed phase. This approach is of foremost significance both from the point of view of basic research and of applications. Linking the electronic properties of the gaseous and condensed phases of matter is a fascinating new frontier of science embracing scientists not only from physics and chemistry but also from the life sciences and engineering. The Patras ASI brought together some of the world's foremost experts who work in the field of electronic properties of molecular gases, clusters, liquids, and solids. The thirty five lectures given at the meeting as well as the twenty nine poster papers presented and the formal and informal discussions that took place focused largely on the behavior of slow electrons in matter.
Decoherence And Entropy In Complex Systems
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Author : Hans-Thomas Elze
language : en
Publisher:
Release Date : 2014-01-15
Decoherence And Entropy In Complex Systems written by Hans-Thomas Elze and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-01-15 with categories.
Entropy Of Complex Processes And Systems
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Author : Eugene Barsky
language : en
Publisher: Elsevier
Release Date : 2020-07-21
Entropy Of Complex Processes And Systems written by Eugene Barsky and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-07-21 with Science categories.
Entropy of Complex Processes and Systems formalizes our understanding of many complex processes, including the development of the methodology of analytical computation of complex processes as applied in many industries, such as ore processing, or more generally, in areas of natural sciences. The adequacy of the results of these calculations is confirmed by numerous experimental data obtained both on pilots and industrial facilities. The book also provides a thorough analysis of the underlying physical foundations of entropy performed from new standpoints that are of interest to theoreticians studying contemporary expositions. Provides methodologies for controlling and optimizing complex processes in branches of industry that involve transformation of materials or substances Describes entropy as the universal characteristic of a stochastic process independent of the system Introduces a new definition of entropy specifically related to dynamical phenomena
Materials Thermodynamics
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Author : Y. Austin Chang
language : en
Publisher: John Wiley & Sons
Release Date : 2010-01-26
Materials Thermodynamics written by Y. Austin Chang and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-01-26 with Science categories.
A timely, applications-driven text in thermodynamics Materials Thermodynamics provides both students and professionals with the in-depth explanation they need to prepare for the real-world application of thermodynamic tools. Based upon an actual graduate course taught by the authors, this class-tested text covers the subject with a broader, more industry-oriented lens than can be found in any other resource available. This modern approach: Reflects changes rapidly occurring in society at large—from the impact of computers on the teaching of thermodynamics in materials science and engineering university programs to the use of approximations of higher order than the usual Bragg-Williams in solution-phase modeling Makes students aware of the practical problems in using thermodynamics Emphasizes that the calculation of the position of phase and chemical equilibrium in complex systems, even when properly defined, is not easy Relegates concepts like equilibrium constants, activity coefficients, free energy functions, and Gibbs-Duhem integrations to a relatively minor role Includes problems and exercises, as well as a solutions manual This authoritative text is designed for students and professionals in materials science and engineering, particularly those in physical metallurgy, metallic materials, alloy design and processing, corrosion, oxidation, coatings, and high-temperature alloys.