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Books > Science & Mathematics > Chemistry > Physical chemistry > Thermochemistry & chemical thermodynamics
This textbook provides an exposition of equilibrium thermodynamics and its applications to several areas of physics with particular attention to phase transitions and critical phenomena. The applications include several areas of condensed matter physics and include also a chapter on thermochemistry. Phase transitions and critical phenomena are treated according to the modern development of the field, based on the ideas of universality and on the Widom scaling theory. For each topic, a mean-field or Landau theory is presented to describe qualitatively the phase transitions. These theories include the van der Waals theory of the liquid-vapor transition, the Hildebrand-Heitler theory of regular mixtures, the Griffiths-Landau theory for multicritical points in multicomponent systems, the Bragg-Williams theory of order-disorder in alloys, the Weiss theory of ferromagnetism, the Neel theory of antiferromagnetism, the Devonshire theory for ferroelectrics and Landau-de Gennes theory of liquid crystals. This textbook is intended for students in physics and chemistry and provides a unique combination of thorough theoretical explanation and presentation of applications in both areas. Chapter summaries, highlighted essentials and problems with solutions enable a self sustained approach and deepen the knowledge.
This textbook takes an interdisciplinary approach to the subject of thermodynamics and is therefore suitable for undergraduates in chemistry, physics and engineering courses. The book is an introduction to phenomenological thermodynamics and its applications to phase transitions and chemical reactions, with some references to statistical mechanics. It strikes the balance between the rigorousness of the Callen text and phenomenological approach of the Atkins text. The book is divided in three parts. The first introduces the postulates and laws of thermodynamics and complements these initial explanations with practical examples. The second part is devoted to applications of thermodynamics to phase transitions in pure substances and mixtures. The third part covers thermodynamic systems in which chemical reactions take place. There are some sections on more advanced topics such as thermodynamic potentials, natural variables, non-ideal mixtures and electrochemical reactions, which make this book of suitable also to post-graduate students.
The book provides a systematic view on flammability and a collection of solved engineering problems in the fields of dilution and purge, mine gas safety, clean burning safety and gas suppression modeling. For the first time, fundamental principles of energy conservation are used to develop theoretical flammability diagrams and are then explored to understand various safety-related mixing problems. This provides the basis for a fully-analytical solution to any flammability problem. Instead of the traditional view that flammability is a fundamental material property, here flammability is discovered to be a result of the explosibility of air and the ignitability of fuel, or a process property. By exploring the more fundamental concepts of explosibility and ignitability, the safety targets of dilution and purge can be better defined and utilized for guiding safe operations in process safety. This book provides various engineering approaches to mixture flammability, benefiting not only the safety students, but also field operators, as a useful resource for the safe handling of flammable gases and liquids. It will be useful to anyone who worries about the ignition potential of a flammable mixture.
Earlier efforts in the field of thermal analysis were concerned with the demonstration of the applicability of techniques to a broad spectrum of materials and to establish the relationship of such techniques with other more accepted method. While such efforts will and should continue, the Third International Conference was unique in that the first standards were disclosed for differential thermal analysis. This was the culmination of the international, cooperative effort of the ICTA's Standardization Committee. The standards currently are available from the United State's National Bureau of Standards. Thus, thermal analysis can be considered to have attained its majority. Reali zation of full maturity can be expected in the near future. Inclusion of plenary lectures in these volumes represents a significant de parture from previous Conferences. This change is the result of the ICTA's recognition of its educational responsibilities. In the Foreword of the Proceedings of the Second Inernational Conference, Professor L. Berg expressed the hope that thermal methods of analysis would find wider application in science and technology. The citation above, together with the papers presented, indicate the fulfillment of this hope. Xerox Corporation C.B. Murphy Rochester, N. Y., U.S.A. President, ICTA, 1968-1971 XIII PREFACE For the past two decades thermo analytical methods have reached a stage of considerable importance, which is particularly due to the developments in the area of instrumentation.
"Drysdale's book is by far the most comprehensive - everyone in the
office has a copy...now including me. It holds just about
everything you need to know about fire science." After 25 years as a bestseller, Dougal Drysdale's classic introduction has been brought up-to-date and expanded to incorporate the latest research and experimental data. Homework problems are included, with solutions, and others are available on the accompanying website at www.wiley.com/go/drysdale. Essential reading for all involved in the field from undergraduate and postgraduate students to practising fire safety engineers and fire prevention officers, "An Introduction to Fire Dynamics" is unique in that it addresses the fundamentals of fire science and fire dynamics, thus providing the scientific background necessary for the development of fire safety engineering as a professional discipline. "An Introduction to Fire Dynamics"Includes experimental data relevant to the understanding of fire behaviour of materials;Features numerical problems with answers illustrating the quantitative applications of the concepts presented;Extensively course-tested at Worcester Polytechnic Institute and the University of Edinburgh, and widely adopted throughout the world;Will appeal to all those working in fire safety engineering and related disciplines.
In this book, Samohyl and Pekar offer a consistent and general non-equilibrium thermodynamic description for a model of chemically reacting mixtures. This type of model is frequently encountered in practice and up until now, chemically reacting systems (out of equilibrium) have rarely been described in books on non-equilibrium thermodynamics. Readers of this book benefit from the systematic development of the theory; this starts with general principles, going through the applications to single component fluid systems, and finishing with the theory of mixtures, including chemical reactions. The authors describe the simplest mixture model - the linear fluid - and highlight many practical and thermodynamically consistent equations for describing transport properties and reaction kinetics for this model. Further on in the book, the authors also describe more complex models. Samohyl and Pekar take special care to clearly explain all methodology and starting axioms and they also describe in detail applied assumptions and simplifications. This book is suitable for graduate students in chemistry, materials science and chemical engineering as well as professionals working in these and related areas.
This textbook takes an interdisciplinary approach to the subject of thermodynamics and is therefore suitable for undergraduates in chemistry, physics and engineering courses. The book is an introduction to phenomenological thermodynamics and its applications to phase transitions and chemical reactions, with some references to statistical mechanics. It strikes the balance between the rigorousness of the Callen text and phenomenological approach of the Atkins text. The book is divided in three parts. The first introduces the postulates and laws of thermodynamics and complements these initial explanations with practical examples. The second part is devoted to applications of thermodynamics to phase transitions in pure substances and mixtures. The third part covers thermodynamic systems in which chemical reactions take place. There are some sections on more advanced topics such as thermodynamic potentials, natural variables, non-ideal mixtures and electrochemical reactions, which make this book of suitable also to post-graduate students.
The scientific and economic importance of the high-temperature reactions of hydrocarbons in both the presence and absence of oxygen cannot be overemphasized. A vast chemical industry exists based on feedstocks produced by the controlled pyrolysis of hydrocarbons, while uncontrolled combustion in air is still among the most important sources of heat and mechanical energy. The detonation and explosion of hydrocarbon-oxidant mixtures can however, be a highly dangerous phenomenon which destroys lives and equipment. In order that control can be exerted over combustion processes, a complete description of hydrocarbon oxidation and pyrolysis is required. A major contribution to this is an understanding of the unstable intermediates involved and their reactions. The aim of this book is to review our knowledge of the chemistry of hydrocarbon combustion and to consider the data which are available for relevant reactions. Chapter 1 describes early studies in which the apparent complexity of the chemistry was established and the type of information required for a better understanding was defined. Experimental studies of the overall process which were carried out with the aim of establishing the sequence of stable chemical intermediates and some of the unstable species are described in Chapter 2. The limited nature of the information thus obtained showed that independent studies of individual reactions involving the unstable species were required. In Chapter 3 investigations specifically aimed at the determination of the kinetics of elementary reactions are discussed.
The book comprises an assembly of benchmarks and examples for porous media mechanics collected over the last twenty years. Analysis of thermo-hydro-mechanical-chemical (THMC) processes is essential to many applications in environmental engineering, such as geological waste deposition, geothermal energy utilisation, carbon capture and storage, water resources management, hydrology, even climate chance. In order to assess the feasibility as well as the safety of geotechnical applications, process-based modelling is the only tool to put numbers, i.e. to quantify future scenarios. This charges a huge responsibility concerning the reliability of computational tools. Benchmarking is an appropriate methodology to verify the quality of modelling tools based on best practices. Moreover, benchmarking and code comparison foster community efforts. The benchmark book is part of the OpenGeoSys initiative - an open source project to share knowledge and experience in environmental analysis and scientific computation.
Molecular Driving Forces, Second Edition is an introductory statistical thermodynamics text that describes the principles and forces that drive chemical and biological processes. It demonstrates how the complex behaviors of molecules can result from a few simple physical processes, and how simple models provide surprisingly accurate insights into the workings of the molecular world. Widely adopted in its First Edition, Molecular Driving Forces is regarded by teachers and students as an accessible textbook that illuminates underlying principles and concepts. The Second Edition includes two brand new chapters: (1) "Microscopic Dynamics" introduces single molecule experiments; and (2) "Molecular Machines" considers how nanoscale machines and engines work. "The Logic of Thermodynamics" has been expanded to its own chapter and now covers heat, work, processes, pathways, and cycles. New practical applications, examples, and end-of-chapter questions are integrated throughout the revised and updated text, exploring topics in biology, environmental and energy science, and nanotechnology. Written in a clear and reader-friendly style, the book provides an excellent introduction to the subject for novices while remaining a valuable resource for experts.
Ten years after the debut of the expansive CRC Handbook of Thermodynamic Data of Copolymer Solutions, The CRC Handbook of Phase Equilibria and Thermodynamic Data of Copolymer Solutions updates and expands the world's first comprehensive source of this vital data. Author Christian Wohlfarth, a chemical thermodynamicist specializing in phase equilibria of polymer and copolymer solutions and a respected contributor to the CRC Handbook of Chemistry and Physics, has gathered up-to-the-minute data from more than 500 newly published references. Fully committed to ensuring the reliability of the data, the author included only results with published or personally communicated numerical values. With volumetric, calormetric, and various phase equilibrium data on more than 450 copolymers and 130 solvents, this handbook furnishes: 150 new vapor-liquid equilibrium datasets 50 new tables containing classical Henry's coefficients 250 new liquid-liquid equilibrium datasets 350 new high-pressure fluid phase equilibrium 70 new PVT-properties datasets 40 new enthalpic datasets Expanded second osmotic virial coefficients data table Carefully organized, clearly presented, and fully referenced, The Handbook of Phase Equilibria and Thermodynamic Data of Copolymer Solutions will prove a cardinal contribution to the open literature and invaluable to anyone working with copolymers.
The combustion properties of organic materials are used to assess their safety specifications. This knowledge is necessary to avoid potentially disastrous fires. The experimental determination of the combustion properties of a new organic compound is laborious and sometimes even impossible. This book describes methods for the determination and prediction of the combustion properties of organic compounds, along with some examples and exercises. This 2nd Edition includes an updated and improved presentation of the applicationnof different new models for reliable prediction of diverse aspects of flammability of organic compounds.
Modern energetic materials include explosives, blasting powders, pyrotechnic m- tures and rocket propellants [1, 2]. The study of high-temperature decomposition of condensed phases of propellants and their components (liquid, solid and hybrid) is currently of special importance for the development of space-system engineering [3, 4]. To better understand the burning mechanisms (stationary, nonstationary, - steady) of composite solid propellants and their components, information about the macrokinetics of their high-temperature decomposition is required [5]. To be able to evaluate the ignition parameters and conditions of safe handling of heat-affected explosives, one needs to know the kinetic constants of their high-temperature - composition. The development of new composite solid propellants characterized by high performance characteristics (high burning rates, high thermal stability, stability to intrachamber perturbations, and other aspects) is not possible without quanti- tive data on the high-temperature decomposition of composite solid propellants and their components [6]. The same reasons have resulted in signi?cant theoretical and practical interest in the high-temperature decomposition of components of hybrid propellants. It is known that hybrid propellants have not been used very widely due to the low bu- ing (pyrolysis) rates of the polymer blocks in the combustion chambers of hybrid rocket engines. To increase the burning rates it is necessary to obtain information about their relationships to the corresponding kinetic and thermophysical prop- ties of the fuels.
A much-needed reference focusing on the theory, design, and applications of a broad range of surface types.
This book covers the results of investigations into the mechanisms and kinetics of thermal decompositions of solid and liquid substances on the basis of thermochemical analyses of the processes. In the framework of the proposed ideas, the main features of these reactions are explained and many problems and unusual phenomena, which have accumulated in this field, are interpreted. New methods of TA measurement and calculation have been developed, which permit the precision and accuracy of determination of kinetic parameters to be increased substantially. Reliable kinetic characteristics have been obtained and the decomposition mechanisms for several tens of substances have been interpreted. These include different classes of compounds: crystalline hydrates, oxides, hydroxides, nitrides, azides, nitrates, sulfates, carbonates and oxalates.
This is a comprehensive and authoritative treatise on all aspects
of the theory, instrumentation and practical usefulness of
electrothermal atomic absorption spectrometry (ETAAS) and
associated techniques. This book reflects the significant changes
that have taken place in this popular technique for the accurate
determination of metals at ultratrace concentrations in a wide
variety of sample types.
This book is a collection of selected papers presented at the symposium titled "In situ Spectroscopy in Monomer and Polymer Synthesis," held at the April, 2001 ACS National Meeting in San Diego, California, USA. The co-organizers of this symposium were Timothy Long, Judit E. Puskas, Robson F. Storey, and J. Andrews. In situ spectroscopic monitoring is gaining popularity both in academia and industry. FfIR monitoring is used most frequently, but UV-visible, raman, and NMR spectroscopy are also important. This book concentrates mostly on FfIR monitoring, both in the near and mid-infrared ranges. The first chapter is a short general overview of FfIR spectroscopy, followed by the symposium contribu tions. We thought that this would be especially useful for student readers. We hope that the book will present a state-of-the-art overview of research related to in situ spectroscopic monitoring. -Judit E. Puskas ix Acknowledgments This book would not have been possible without the dedicated effort of the chapter contributors and the symposium committee: Professor Judit E. Puskas Professor Timothy Long Professor Robson F. Storey Professor J. Andrews The symposium was financially supported by: ACS-Petroleum Research Fund REMSPEC Co. Wyatt Technology Co."
For the first time in the history of chemical sciences, theoretical predictions have achieved the level of reliability that allows them to - val experimental measurements in accuracy on a routine basis. Only a decade ago, such a statement would be valid only with severe qualifi- tions as high-level quantum-chemical calculations were feasible only for molecules composed of a few atoms. Improvements in both hardware performance and the level of sophistication of electronic structure me- ods have contributed equally to this impressive progress that has taken place only recently. The contemporary chemist interested in predicting thermochemical properties such as the standard enthalpy of formation has at his disposal a wide selection of theoretical approaches, differing in the range of app- cability, computational cost, and the expected accuracy. Ranging from high-level treatments of electron correlation used in conjunction with extrapolative schemes to semiempirical methods, these approaches have well-known advantages and shortcomings that determine their usefulness in studies of particular types of chemical species. The growing number of published computational schemes and their variants, testing sets, and performance statistics often makes it difficult for a scientist not well versed in the language of quantum theory to identify the method most adequate for his research needs.
This work offers a comprehensive, up-to-date account of 30 years of
thermochemical investigations and findings from around the world.
to Thermal Analysis Techniques and Applications Edited by Michael E. Brown Chemistry Department, Rhodes University, Grahamstown, South Africa KLUWER ACADEMIC PUBLISHERS NEW YORK, BOSTON, DORDRECHT, LONDON, MOSCOW eBook ISBN: 0-306-48404-8 Print ISBN: 1-4020-0472-9 (c)2004 Kluwer Academic Publishers New York, Boston, Dordrecht, London, Moscow Print (c)2001 Kluwer Academic Publishers Dordrecht All rights reserved No part of this eBook may be reproduced or transmitted in any form or by any means, electronic, mechanical, recording, or otherwise, without written consent from the Publisher Created in the United States of America Visit Kluwer Online at: http: //kluweronline. com and Kluwer's eBookstore at: http: //ebooks. kluweronline. com CONTENTS Preface to the First Edition, Chapman & Hall, London, 1988 ix About the First Edition of this Book x Preface to the Second Edition xi 1. INTRODUCTION 1. 1 Definition and History 1 1. 2 Thermal Analysis Instruments 4 References 11 2. THERMAL EVENTS 2. 1 Introduction 13 2. 2 The Solid State 13 2. 3 Reactions of Solids 14 2. 4 Decomposition of Solids 15 2. 5 Reaction with the Surrounding Atmosphere 16 2. 6 Solid-Solid Interactions 16 References 17 3. THERMOGRAVIMETRY (TG) Introduction 3. 1 19 3. 2 The Balance 19 3. 3 Heating the Sample 21 3. 4 The Atmosphere 24 3. 5 The Sample 26 3. 6 Temperature Measurement 26 3. 7 Temperature Control 28 Sample Controlled Thermal Analysis (SCTA) 29 3. 8 3. 9 Calibration 36 3. 10 Presentation of TG Data 37 3
to Thermal Analysis Techniques and Applications Edited by Michael E. Brown Chemistry Department, Rhodes University, Grahamstown, South Africa KLUWER ACADEMIC PUBLISHERS NEW YORK, BOSTON, DORDRECHT, LONDON, MOSCOW eBook ISBN: 0-306-48404-8 Print ISBN: 1-4020-0472-9 (c)2004 Kluwer Academic Publishers New York, Boston, Dordrecht, London, Moscow Print (c)2001 Kluwer Academic Publishers Dordrecht All rights reserved No part of this eBook may be reproduced or transmitted in any form or by any means, electronic, mechanical, recording, or otherwise, without written consent from the Publisher Created in the United States of America Visit Kluwer Online at: http: //kluweronline. com and Kluwer's eBookstore at: http: //ebooks. kluweronline. com CONTENTS Preface to the First Edition, Chapman & Hall, London, 1988 ix About the First Edition of this Book x Preface to the Second Edition xi 1. INTRODUCTION 1. 1 Definition and History 1 1. 2 Thermal Analysis Instruments 4 References 11 2. THERMAL EVENTS 2. 1 Introduction 13 2. 2 The Solid State 13 2. 3 Reactions of Solids 14 2. 4 Decomposition of Solids 15 2. 5 Reaction with the Surrounding Atmosphere 16 2. 6 Solid-Solid Interactions 16 References 17 3. THERMOGRAVIMETRY (TG) Introduction 3. 1 19 3. 2 The Balance 19 3. 3 Heating the Sample 21 3. 4 The Atmosphere 24 3. 5 The Sample 26 3. 6 Temperature Measurement 26 3. 7 Temperature Control 28 Sample Controlled Thermal Analysis (SCTA) 29 3. 8 3. 9 Calibration 36 3. 10 Presentation of TG Data 37 3
Given that thermodynamics books are not a rarity on the market, why would an additional one be useful? The answer is simple: at any level, thermodynamics is usually taught as a somewhat abstruse discipline where many students get lost in a maze of difficult concepts. However, thermodynamics is not as intricate a subject as most people feel. This book fills a niche between elementary textbooks and mathematically oriented treatises, and provides readers with a distinct approach to the subject. As indicated by the title, this book explains thermodynamic phenomena and concepts in physical terms before proceeding to focus on the requisite mathematical aspects. It focuses on the effects of pressure, temperature and chemical composition on thermodynamic properties and places emphasis on rapidly evolving fields such as amorphous materials, metastable phases, numerical simulations of microsystems and high-pressure thermodynamics. Topics like redox reactions are dealt with in less depth, due to the fact that there is already much literature available. Without requiring a background in quantum mechanics, this book also illustrates the main practical applications of statistical thermodynamics and gives a microscopic interpretation of temperature, pressure and entropy. This book is perfect for undergraduate and graduate students who already have a basic knowledge of thermodynamics and who wish to truly understand the subject and put it in a broader physical perspective. The book is aimed not at theoretical physicists, but rather at practitioners with a variety of backgrounds from physics to biochemistry for whom thermodynamics is a tool which would be better used if better understood.
Advances in nanoscale science show that the properties of many materials are dominated by internal structures. In molecular cases, such as window glass and proteins, these internal structures obviously have a network character. However, in many partly disordered electronic materials, almost all attempts at understanding are based on traditional continuum models. This workshop focuses first on the phase diagrams and phase transitions of materials known to be composed of molecular networks. These phase properties characteristically contain remarkable features, such as intermediate phases that lead to reversibility windows in glass transitions as functions of composition. These features arise as a result of self-organization of the internal structures of the intermediate phases. In the protein case, this self-organization is the basis for protein folding. The second focus is on partly disordered electronic materials whose phase properties exhibit the same remarkable features. In fact, the phenomenon of High Temperature Superconductivity, discovered by Bednorz and Mueller in 1986, and now the subject of 75,000 research papers, also arises from such an intermediate phase. More recently discovered electronic phenomena, such as giant magnetoresistance, also are made possible only by the existence of such special phases. This book gives an overview of the methods and results obtained so far by studying the characteristics and properties of nanoscale self-organized networks. It demonstrates the universality of the network approach over a range of disciplines, from protein folding to the newest electronic materials.
The theoretical basis of this book is developed ab ovo. This requires dealing with several problems arising in physical chemistry including the concept of entropy as a thermodynamic coordinate and its relation to probability. Thus Maxwell Boltzmann and Gibbs statistical thermodynamics, and quantum statistics are made considerable use of. A statistical mechanical derivation of the law of mass action for gases and solids is presented, and the problems arising in the application of the law of mass action to the liquid state are addressed. Molecular interactions and how to take them into account when deriving the law of mass action is discussed in some detail sketching a way alternativ to the use of activities. Finally, attention is drawn to the statistical mechanical background to Linear Free Energy Relationships (LFER's) and of Isokinetic Relationships (IKR's) and their connections with molecular interactions.
The book deals with the most accurate method to describe thermodynamic property data, with empirical multiparameter equations of state. Due to new theoretical approaches, to increasing demands on the accuracy of thermodynamic property data, and to increasing computer power such equations became a valuable tool for every day calculations in scientific and engineering applications, rather than just the basis of printed property charts and tables. The book is dedicated both to users, who apply such formulations either in form of commercially available software or in form of programs written by themselves, and to scientists engaged in the development of empirical equations of state. Starting from a brief history, it covers the fundamentals of this subject as well as the most recent developments in the fields of highly accurate reference equations, of equations for advanced technical applications, and of the description of mixtures with multiparameter equations of state. |
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