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During the last thirty years profound developments in expe- rimental techniques to measure high temperature and pressu- res and thermodynamic properties of minerals have occurred. This technical development has been matched by an increased sophistication in applying theoretical methods to obtain new data or improve the quality of existing data. Using these newtechniques, Assessed Thermodynamic Data on Oxides and Silicates represents the successful attempt of the authors to develop an internally systematized data base which satis- fies the constraints of calorimetric measurements, phase equilibrium data, measured thermophysical properties of a phase, and heat capacities and entropies estimated from lat- tice vibrational models.
During the last thirty years profound developments in expe- rimental techniques to measure high temperature and pressu- res and thermodynamic properties of minerals have occurred. This technical development has been matched by an increased sophistication in applying theoretical methods to obtain new data or improve the quality of existing data. Using these newtechniques, Assessed Thermodynamic Data on Oxides and Silicates represents the successful attempt of the authors to develop an internally systematized data base which satis- fies the constraints of calorimetric measurements, phase equilibrium data, measured thermophysical properties of a phase, and heat capacities and entropies estimated from lat- tice vibrational models.
This book involves application of the Calphad method for derivation of a self consistent thermodynamic database for the geologically important system Mg0- Fe0-Fe203-Alz03-Si02 at pressures and temperatures of Earth's upper mantle and the transition zone of that mantle for Earth. The created thermodynamic database reproduces phase relations at 1 bar and at pressures up to 30 GPa. The minerals are modelled by compound energy formalism, which gives realistic descriptions of their Gibbs energy and takes into account crystal structure data. It incorporates a detailed review of diverse types of experimental data which are used to derive the thermodynamic database: phase equilibria, calorimetric stud ies, and thermoelastic property measurements. The book also contains tables of thermodynamic properties at 1 bar (enthalpy and Gibbs energy of formation from the elements, entropy, and heat capacity, and equation of state data at pressures from 1 bar to 30 GPa. Mixing parameters of solid solutions are also provided by the book. Table of Contents Introduction to the Series . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . V Acknowledgments . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . VII Preface . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . IX Table of Contents . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . XI Co-Authors . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . XIII Vitae of Co-Authors . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . XV CODATA Task Group on Geothermodynamic Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . XXIII Chapter 1. Thermodynamics and Modeling . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1. 1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1. 2 Thermodynamic Modeling . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1. 3 Experimental Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3 1. 4 Programs and Assessment. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4 System and Phases . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5 1. 5 Chapter 2. Experimental Phase Equilibrium Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7 The Si02 System . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7 2. 1 2. 2 The Fe-0 System . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8 2. 3 The Fe-Si-0 System . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10 2. 4 The Mg0-Si0 System . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
The ever-increasing importance of chemical reactions at high and superhigh temperatures in crystalline, amorphous, and semicrystalline SOlids, as well as the reactions of these solids with gases, prompted the authors of this book to examine critically the literature available in this field and to present a general review of the subject. In this monograph we discuss those chemical and physicochemical points which we consider to be most important for solving a series of problems in the preparation and use of new inorganic materials. We hope that this book will be of interest to the many specialists working on inorganic materials. N. A. Toropov PREFACE Modem technology demands ever more materials with high mechanical strength, heat and chemical re sistance, fire resistance, special electrical properties, particular behavior toward active radiations, etc. The search for such materials requires the study of various chemical compounds, metallic alloys, and other fused in organic systems, especially oxide systems. Materials based on oxides begin to assume increasing importance in many fields of the new technology. In this connection the investigation of oxides and systems consisting of two and more oxides is expanding greatly.
Volume 32 of Reviews in Mineralogy introduces the basic concepts of melt physics and relaxation theory as applied to silicate melts, then to describe the current state of experimental and computer simulation techniques for exploring the detailed atomic structure and dynamic processes which occur at high temperature, and finally to consider the relationships between melt structure, thermodynamic properties and rheology within these liquids. These fundamental relations serve to bridge the extrapolation from often highly simplified melt compositions studied in the laboratory to the multicomponent systems found in nature. This volume focuses on the properties of simple model silicate systems, which are usually volatile-free. The behavior of natural magmas has been summarized in a previous Short Course volume (Nicholls and Russell, editors, 1990: Reviews in Mineralogy, Vol. 24), and the effect of volatiles on magmatic properties in yet another (Carroll and Holloway, editors, 1994: Vol. 30). The Mineralogical Society of America sponsored a short course for which this was the text at Stanford University December 9 and 10, 1995, preceding the Fall Meeting of the American Geophysical Union and MSA in San Fransisco, with about 100 professionals and graduate students in attendance.
This book presents a summary of high-pressure phase transitions of minerals and related inorganic compounds. The first part reviews the methods to investigate phase transitions by direct high-pressure and high-temperature experiments together with thermodynamic approaches that consist of calorimetric measurements and thermodynamic calculation. In the second part, phase relations and thermodynamic properties of olivine, pyroxene, garnet, spinel, perovskite, rutile, and related inorganic compounds with A2BO4, ABO3, AB2O4, and AO2 stoichiometries are described. Particular emphasis is placed on spinel- and perovskite-structured phases and their high-pressure polymorphs called post-spinel and post-perovskite phases. The last part of the book focuses on phase relations of mantle rocks and on natural high-pressure minerals from the Earth’s deep mantle and in shocked meteorites.
With the rapid development of fast processors, the power of a mini-super computer now exists in a lap-top box. Quite sophisticated techniques are be coming accessible to geoscientists, thus making disciplinary boundaries fade. Chemists and physicists are no longer shying away from computational mineral ogical and material science problems "too complicated to handle." Geoscientists are willing to delve into quantitative physico-chemical methods and open those "black boxes" they had shunned for several decades but with which had learned to live. I am proud to present yet another volume in this series which is designed to break the disciplinary boundaries and bring the geoscientists closer to their chemist and physicist colleagues in achieving a common goal. This volume is the result of an international collaboration among many physical geochemists (chemists, physicists, and geologists) aiming to understand the nature of material. The book has one common theme: namely, how to determine quantitatively through theory the physico-chemical parameters of the state of a solid or fluid.
This volume is part of the series on "Chemical Thermodynamics", published under the aegis of the OECD Nuclear Energy Agency. It contains a critical review of the literature on thermodynamic data for inorganic compounds of zirconium. A review team, composed of five internationally recognized experts, has critically reviewed all the scientific literature containing chemical thermodynamic information for the above mentioned systems. The results of this critical review carried out following the Guidelines of the OECD NEA Thermochemical Database Project have been documented in the present volume, which contains tables of selected values for formation and reaction thermodynamical properties and an extensive bibliography.* Critical review of all literature on chemical thermodynamics for compounds and complexes of Zr.* Tables of recommended Selected Values for thermochemical properties* Documented review procedure* Exhaustive bibliography* Intended to meet requirements of radioactive waste management community* Valuable reference source for the physical, analytical and environmental chemist.