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Author: B. Silvi
Publisher: Springer Science & Business Media
ISBN: 0306469332
Category : Science
Languages : en
Pages : 345
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Book Description
The modeling of minerals and silicated materials is a. difficult challenge faced by Solid StatePhysics, Quantum Chemistry and Molecular Dynamics communities. The difficulty of such a modeling is due to the wide diversity of elements, including heavy atoms,and types of bonding involved in such systems. Moreover, one has to consider infinite systems: either perfect cr- tals or glasses and melts. In the solid state a given chemical composition gives rise to numerous polymorphs, geometricallycloselyrelated. These polymorphs have very similar energies and related thermodynamical pr- erties which explain the complexity of their phase diagrams. The modeling of silicates and minerals covers a wide field of applications ranging from basic research to technology, from Solid State Physics to Earth and Planetary science. The use of modeling techniques yields information of different nature. In the case of chemical studies, we can mention inv- tigations on catalytic processes occurring on surfaces and in zeolite cages. These calculations find possible applications in chemical engineering, in particular in the oil industry.
Author: B. Silvi
Publisher: Springer Science & Business Media
ISBN: 0306469332
Category : Science
Languages : en
Pages : 345
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Book Description
The modeling of minerals and silicated materials is a. difficult challenge faced by Solid StatePhysics, Quantum Chemistry and Molecular Dynamics communities. The difficulty of such a modeling is due to the wide diversity of elements, including heavy atoms,and types of bonding involved in such systems. Moreover, one has to consider infinite systems: either perfect cr- tals or glasses and melts. In the solid state a given chemical composition gives rise to numerous polymorphs, geometricallycloselyrelated. These polymorphs have very similar energies and related thermodynamical pr- erties which explain the complexity of their phase diagrams. The modeling of silicates and minerals covers a wide field of applications ranging from basic research to technology, from Solid State Physics to Earth and Planetary science. The use of modeling techniques yields information of different nature. In the case of chemical studies, we can mention inv- tigations on catalytic processes occurring on surfaces and in zeolite cages. These calculations find possible applications in chemical engineering, in particular in the oil industry.
Author: William A. Vogely
Publisher: Routledge
ISBN: 1317362802
Category : Nature
Languages : en
Pages : 329
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Book Description
Originally published in 1976, this study was undertaken to fill a gap in knowledge about non-fuel resources and the advantages and disadvantages of specific methodologies of analysing material modelling. Mineral Materials Modeling examines the influence of factors such as raw material price and availability, technological aspects and related environmental questions in relation to both economic and mathematical models. The results are particularly helpful in terms of forecasting, policy development and decision-making about mineral materials as well as assessing the usefulness of different types of model. This title will be of interest to students of Environmental Studies as well as policy makers and professionals.
Author: Steven Earle
Publisher:
ISBN: 9781537068824
Category :
Languages : en
Pages : 628
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Book Description
This is a discount Black and white version. Some images may be unclear, please see BCCampus website for the digital version.This book was born out of a 2014 meeting of earth science educators representing most of the universities and colleges in British Columbia, and nurtured by a widely shared frustration that many students are not thriving in courses because textbooks have become too expensive for them to buy. But the real inspiration comes from a fascination for the spectacular geology of western Canada and the many decades that the author spent exploring this region along with colleagues, students, family, and friends. My goal has been to provide an accessible and comprehensive guide to the important topics of geology, richly illustrated with examples from western Canada. Although this text is intended to complement a typical first-year course in physical geology, its contents could be applied to numerous other related courses.
Author: Luis A. Cisternas
Publisher: MDPI
ISBN: 3039284002
Category : Technology & Engineering
Languages : en
Pages : 232
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Book Description
Mineral processing deals with complex particle systems with two-, three- and more phases. The modeling and understanding of these systems are a challenge for research groups and a need for the industrial sector. This Special Issue aims to present new advances, methodologies, applications, and case studies of computer-aided analysis applied to multiphase systems in mineral processing. This includes aspects such as modeling, design, operation, optimization, uncertainty analysis, among other topics. The special issue contains a review article and eleven articles that cover different methodologies of modeling, design, optimization, and analysis in problems of adsorption, leaching, flotation, and magnetic separation, among others. Consequently, the topics covered are of interest to readers from academia and industry.
Author: Ian S. E. Carmichael
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 1501508954
Category : Science
Languages : en
Pages : 516
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Book Description
Volume 17 of Reviews in Mineralogy is based on a short course, entitled "Thermodynamic Modeling of Geological Materials: Minerals, Fluids amd Melts," October 22-25, 1987, at the Wickenburg Inn near Phoenix, Arizona. Contents: Thermodynamic Analysis of Phase Equilibria in Simple Mineral Systems Models of Crystalline solutions Thermodynamics of Multicomponent Systems Containing Several Solid Solutions Thermodynamic Model for Aqueous Solutions of Liquid-like Density Models of Mineral Solubility in Concentrated Brines with Application to Field Observations Calculation of the Thermodynamic Properties of Aqueous Species and the Solubilities of Minerals in Supercritical Electrolyte Solutions Igneous Fluids Ore Fluids: Magmatic to Supergene Thermodynamic Models of Molecular Fluids at the Elevated Pressures and Temperatures of Crustal Metamorphism Mineral Solubilities and Speciation in Supercritical Metamorphic Fluids Development of Models for Multicomponent Melts: Analysis of Synthetic Systems Modeling Magmatic Systems: Thermodynamic Relations Modeling Magmatic Systems: Petrologic Applications
Author: James D. Kubicki
Publisher: John Wiley & Sons
ISBN: 1118845080
Category : Science
Languages : en
Pages : 436
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Book Description
Molecular processes in nature affect human health, the availability of resources and the Earth’s climate. Molecular modelling is a powerful and versatile toolbox that complements experimental data and provides insights where direct observation is not currently possible. Molecular Modeling of Geochemical Reactions: An Introduction applies computational chemistry to geochemical problems. Chapters focus on geochemical applications in aqueous, petroleum, organic, environmental, bio- and isotope geochemistry, covering the fundamental theory, practical guidance on applying techniques, and extensive literature reviews in numerous geochemical sub-disciplines. Topics covered include: • Theory and Methods of Computational Chemistry • Force Field Application and Development • Computational Spectroscopy • Thermodynamics • Structure Determination • Geochemical Kinetics This book will be of interest to graduate students and researchers looking to understand geochemical processes on a molecular level. Novice practitioners of molecular modelling, experienced computational chemists, and experimentalists seeking to understand this field will all find information and knowledge of use in their research.
Author: D. Hutchison
Publisher: Elsevier
ISBN: 0080984800
Category : Science
Languages : en
Pages : 396
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Book Description
A practical guide to the methods in general use for the complete analysis of silicate rock material and for the determination of all those elements present in major, minor or trace amounts in silicate and other rocks that are routinely, commonly or occasionally determined by methods that are considered to be essentially chemical in character. Such methods include those based upon spectrophotometry, flame emission spectrometry and atomic absorption spectroscopy, as well as gravimetry, titrimetry and the use of ion-selective electrodes. Separation stages are described in full, using precipitation, solvent extraction, distillation, and ion-ex procedures as appropriate. The third edition has been fully revised and updated.
Author: R. Peter King
Publisher: Elsevier
ISBN: 0080511848
Category : Technology & Engineering
Languages : en
Pages : 416
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Book Description
Dr. R. Peter King covers the field of quantitative modeling of mineral processing equipment and the use of these models to simulate the actual behavior of ore dressing and coal washing as they are configured to work in industrial practice. The material is presented in a pedagogical style that is particularly suitable for readers who wish to learn the wide variety of modeling methods that have evolved in this field. The models vary widely from one unit type to another. As a result each model is described in some detail. Wherever possible model structure is related to the underlying physical processes that govern the behaviour of particulate material in the processing equipment. Predictive models are emphasised throughout so that, when combined, they can be used to simulate the operation of complex mineral processing flowsheets. The development of successful simulation techniques is a major objective of the work that is covered in the text. Covers all aspects of modeling and simulation Provides all necessary tools to put the theory into practice
Author: C.Richard A. Catlow
Publisher: Elsevier
ISBN: 0080502458
Category : Science
Languages : en
Pages : 362
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Book Description
Computer simulation techniques are now having a major impact on almost all areas of the physical and biological sciences. This book concentrates on the application of these methods to inorganic materials, including topical and industrially relevant systems including zeolites and high Tc superconductors. The central theme of the book is the use of modern simulation techniques as a structural tool in solid state science. Computer Modelling in Inorganic Crystallography describes the current range of techniques used in modeling crystal structures, and strong emphasis is given to the use of modeling in predicting new crystal structures and refining partially known structures. It also reviews new opportunities being opened up by electronic structure calculation and explains the ways in which these techniques are illuminating our knowledge of bonding in solids. Includes a thorough review of the technical basis of relevant contemporary methodologies including minimization, Monte-Carlo, molecular dynamics, simulated annealing methods, and electronic structure methods Highlights applications to amorphous and crystalline solids Surveys simulations of surface and defect properties of solids Discusses applications to molecular and inorganic solids
Author: P.J. Potts
Publisher: Springer Science & Business Media
ISBN: 940153988X
Category : Science
Languages : en
Pages : 633
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Book Description
without an appreciation of what happens in between. The techniques available for the chemical analysis of silicate rocks have undergone a revolution over the last 30 years. However, to use an analytical technique most effectively, No longer is the analytical balance the only instrument used it is essential to understand its analytical characteristics, in for quantitative measurement, as it was in the days of classi particular the excitation mechanism and the response of the cal gravimetric procedures. A wide variety of instrumental signal detection system. In this book, these characteristics techniques is now commonly used for silicate rock analysis, have been described within a framework of practical ana lytical aplications, especially for the routine multi-element including some that incorporate excitation sources and detec tion systems that have been developed only in the last few analysis of silicate rocks. All analytical techniques available years. These instrumental developments now permit a wide for routine silicate rock analysis are discussed, including range of trace elements to be determined on a routine basis. some more specialized procedures. Sufficient detail is In parallel with these exciting advances, users have tended included to provide practitioners of geochemistry with a firm to become more remote from the data production process. base from which to assess current performance, and in some This is, in part, an inevitable result of the widespread intro cases, future developments.
