Modelling Of Minerals And Silicated Materials

Author : B. Silvi,P. D'Arco
Publisher : Springer Science & Business Media
Page : 341 pages
File Size : 48,7 Mb
Release : 2006-04-11
Category : Science
ISBN : 9780306469336

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Modelling of Minerals and Silicated Materials by B. Silvi,P. D'Arco Pdf

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 : Luis A. Cisternas
Publisher : MDPI
Page : 232 pages
File Size : 44,6 Mb
Release : 2020-03-19
Category : Technology & Engineering
ISBN : 9783039284009

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Modeling, Design and Optimization of Multiphase Systems in Minerals Processing by Luis A. Cisternas Pdf

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 : William A. Vogely
Publisher : Routledge
Page : 439 pages
File Size : 52,6 Mb
Release : 2015-09-16
Category : Nature
ISBN : 9781317362814

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Mineral Materials Modeling by William A. Vogely Pdf

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 : Unknown
Page : 628 pages
File Size : 45,9 Mb
Release : 2016-08-12
Category : Electronic
ISBN : 1537068822

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Physical Geology by Steven Earle Pdf

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 : Ian S. E. Carmichael,Hans Eugster
Publisher : Walter de Gruyter GmbH & Co KG
Page : 516 pages
File Size : 45,8 Mb
Release : 2018-12-17
Category : Science
ISBN : 9781501508950

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Thermodynamic Modeling of Geologic Materials by Ian S. E. Carmichael,Hans Eugster Pdf

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 : R. Peter King
Publisher : Elsevier
Page : 416 pages
File Size : 54,7 Mb
Release : 2012-12-02
Category : Technology & Engineering
ISBN : 9780080511849

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Modeling and Simulation of Mineral Processing Systems by R. Peter King Pdf

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 : James D. Kubicki
Publisher : John Wiley & Sons
Page : 440 pages
File Size : 54,8 Mb
Release : 2016-07-22
Category : Science
ISBN : 9781118845202

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Molecular Modeling of Geochemical Reactions by James D. Kubicki Pdf

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 : Pierre Velde,Pierre Barré
Publisher : Springer Science & Business Media
Page : 355 pages
File Size : 40,7 Mb
Release : 2009-12-23
Category : Science
ISBN : 9783642034992

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Soils, Plants and Clay Minerals by Pierre Velde,Pierre Barré Pdf

This book represents a rather complicated history of encounters, changes in research interest and some very interesting results. Initially it is the very fruitful interaction of Ecology and Geology. The point of view of ecologists is extremely refreshing for hard science people. Interaction and inter-relationships are the focus of Ecology whereas the traditional sciences, such as Geology, have tried to isolate the natural phenomena so that thye could be studied in a more rigorous manner. The traditional sciences were of course natural science – based since the world to be observed was at the door step of everyone, mountains, weather patterns, plants and so forth. Chemistry and Physics were de ned after Mathematics in order to establish more precise and viable principles of the behavior of the materials that formed the world around mankind. It became quite clear that the observation of the natural world was too complicated to consider all of the possible variables which could affect an observed process or situation. The systems were simpli ed and taken into the laboratory in order to better master the phenomena observed. Physics c- cerned itself with non-reacting materials, subjected to essentially mechanical forces.

Author : C.Richard A. Catlow
Publisher : Elsevier
Page : 362 pages
File Size : 42,5 Mb
Release : 1997-02-03
Category : Science
ISBN : 9780080502458

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Computer Modeling in Inorganic Crystallography by C.Richard A. Catlow Pdf

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 : Arthur F. White,Susan L. Brantley
Publisher : Walter de Gruyter GmbH & Co KG
Page : 600 pages
File Size : 44,7 Mb
Release : 2018-12-17
Category : Science
ISBN : 9781501509650

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Chemical Weathering Rates of Silicate Minerals by Arthur F. White,Susan L. Brantley Pdf

Volume 31 of Reviews in Mineralogy reviews current thinking on the fundamental processes that control chemical weathering of silicates, including the physical chemistry of reactions at mineral surfaces, the role of experimental design in isolating and quantifying these reactions, and the complex roles that water chemistry, hydrology, biology, and climate play in weathering of natural systems. The chapters in this volume are arranged to parallel this order of development from theoretical considerations to experimental studies to characterization of natural systems. Secondly, the book is meant to serve as a reference from which researchers can readily retrieve quantitative weathering rate data for specific minerals under detailed experimental controls or for natural weathering conditions. Toward this objective, the authors were encouraged to tabulate available weathering rate data for their specific topics. Finally this volume serves as a forum in which suggestions and speculations concerning the direction of future weathering research are discussed.

Author : Mineekshi Awasthi
Publisher : Unknown
Page : 0 pages
File Size : 43,7 Mb
Release : 2015
Category : Ore-dressing
ISBN : 168117491X

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Modeling and Simulation of Mineral Processing Systems by Mineekshi Awasthi Pdf

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. 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 flow sheets. The development of successful simulation techniques is a major objective of the work that is covered in the text.

Author : Jia Fu
Publisher : BoD – Books on Demand
Page : 180 pages
File Size : 52,6 Mb
Release : 2019-05-10
Category : Computers
ISBN : 9781838802011

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Atomistic Simulation of Anistropic Crystal Structures at Nanoscale by Jia Fu Pdf

Multiscale simulations of atomistic/continuum coupling in computational materials science, where the scale expands from macro-/micro- to nanoscale, has become a hot research topic. These small units, usually nanostructures, are commonly anisotropic. The development of molecular modeling tools to describe and predict the mechanical properties of structures reveals an undeniable practical importance. Typical anisotropic structures (e.g. cubic, hexagonal, monoclinic) using DFT, MD, and atomic finite element methods are especially interesting, according to the modeling requirement of upscaling structures. It therefore connects nanoscale modeling and continuous patterns of deformation behavior by identifying relevant parameters from smaller to larger scales. These methodologies have the prospect of significant applications. I would like to recommend this book to both beginners and experienced researchers.

Author : Dongshuai Hou
Publisher : Springer Nature
Page : 197 pages
File Size : 43,9 Mb
Release : 2019-09-26
Category : Technology & Engineering
ISBN : 9789811387111

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Molecular Simulation on Cement-Based Materials by Dongshuai Hou Pdf

This book presents a number of studies on the molecular dynamics of cement-based materials. It introduces a practical molecular model of cement-hydrate, delineates the relationship between molecular structure and nanoscale properties, reveals the transport mechanism of cement-hydrate, and provides useful methods for material design. Based on the molecular model presented here, the book subsequently sheds light on nanotechnology applications in the design of construction and building materials. As such, it offers a valuable asset for researchers, scientists, and engineers in the field of construction and building materials.

Author : Bjorn O. Mysen,Pascal Richet
Publisher : Elsevier
Page : 720 pages
File Size : 44,8 Mb
Release : 2018-11-27
Category : Science
ISBN : 9780444637093

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Silicate Glasses and Melts by Bjorn O. Mysen,Pascal Richet Pdf

Silicate Glasses and Melts, Second Edition describes the structure-property-composition relationships for silicate glasses and melts from a geological and industrial perspective. Updated sections include (i) characterization of silicate melt and COHN fluid structure (with and without dissolved silicate components) with pressure, temperature, and redox conditions and responses of structural variables to chemical composition, (ii) determination of solubility and solution mechanisms of COHN volatiles in silicate melts and minerals and of solubility and solution mechanisms of silicate components in COHN fluids, and (iii) effects of very high pressure on structure and properties of melts and glasses. This new book is an essential resource for researchers in a number of fields, including geology, geophysics, geoscience, volcanology, material science, glass science, petrology and mineralogy. Brings together multidisciplinary research scattered across the scientific literature into one reference, with a focus on silicate melts and their application to natural systems Emphasizes linking melt properties to melt structure Includes a discussion of the pros and cons of the use of glass as a proxy for melt structure and properties Written by highly regarded experts in the field who, among other honors, were the 2006 recipients of the prestigious G.W. Morey award of the American Ceramic Society

Author : Eugene Kotomin
Publisher : IOS Press
Page : 450 pages
File Size : 41,7 Mb
Release : 2003
Category : Electronic
ISBN : 1586033352

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Computational Materials Science by Eugene Kotomin Pdf