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Modelling Of Minerals And Silicated Materials


Modelling Of Minerals And Silicated Materials
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Molecular Modeling Of Geochemical Reactions


Molecular Modeling Of Geochemical Reactions
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Author : James D. Kubicki
language : en
Publisher: John Wiley & Sons
Release Date : 2016-07-12

Molecular Modeling Of Geochemical Reactions written by James D. Kubicki 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 2016-07-12 with Science categories.


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.



Kinetic Model For Orthophosphate Reactions In Mineral Soils


Kinetic Model For Orthophosphate Reactions In Mineral Soils
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Author : Carl George Enfield
language : en
Publisher:
Release Date : 1975

Kinetic Model For Orthophosphate Reactions In Mineral Soils written by Carl George Enfield and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1975 with Sewage categories.


"The ability of a soil to removed wastewater phosphorus from solutions passing through the soil matrix is primarily related to the formation of relatively insoluble phosphate compounds of iron, aluminum, and calcium. Based on the solubility of these compounds, an estimate can be made of the minimum concentration of phosphorus which will be found at equilibrium in the soil solution. The kinetics of orthophosphorus sorption with 25 viable mineral soils were experimentally measured under laboratory conditions. Several kinetic models were evaluated as a means of describing phosphorus sorption by soil. A diffusion limited Langmuir sorption model best fit the experimental data." -- Abstract, page ii.



Computer Modeling In Inorganic Crystallography


Computer Modeling In Inorganic Crystallography
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Author : C.Richard A. Catlow
language : en
Publisher: Elsevier
Release Date : 1997-02-03

Computer Modeling In Inorganic Crystallography written by C.Richard A. Catlow and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 1997-02-03 with Science categories.


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



Chemical Weathering Rates Of Silicate Minerals


Chemical Weathering Rates Of Silicate Minerals
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Author : Arthur F. White
language : en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date : 2018-12-17

Chemical Weathering Rates Of Silicate Minerals written by Arthur F. White and has been published by Walter de Gruyter GmbH & Co KG this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-12-17 with Science categories.


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.



Modeling Design And Optimization Of Multiphase Systems In Minerals Processing


Modeling Design And Optimization Of Multiphase Systems In Minerals Processing
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Author : Luis A. Cisternas
language : en
Publisher: MDPI
Release Date : 2020-03-19

Modeling Design And Optimization Of Multiphase Systems In Minerals Processing written by Luis A. Cisternas and has been published by MDPI this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-03-19 with Technology & Engineering categories.


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.



Handbook Of Layered Materials


Handbook Of Layered Materials
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Author : Scott M. Auerbach
language : en
Publisher: CRC Press
Release Date : 2004-03-23

Handbook Of Layered Materials written by Scott M. Auerbach and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2004-03-23 with Science categories.


Focusing on layered compounds at the core of materials intercalation chemistry, this reference comprehensively explores clays and other classes of materials exhibiting the ability to pillar, or establish permanent intracrystalline porosity within layers. It offers an authoritative presentation of their fundamental properties as well as summaries of



Soils Plants And Clay Minerals


Soils Plants And Clay Minerals
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Author : Pierre Velde
language : en
Publisher: Springer Science & Business Media
Release Date : 2009-12-23

Soils Plants And Clay Minerals written by Pierre Velde 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 2009-12-23 with Science categories.


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 anobserved 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.



Structure Dynamics And Properties Of Silicate Melts


Structure Dynamics And Properties Of Silicate Melts
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Author : Jonathan F. Stebbins
language : en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date : 2018-12-17

Structure Dynamics And Properties Of Silicate Melts written by Jonathan F. Stebbins and has been published by Walter de Gruyter GmbH & Co KG this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-12-17 with Science categories.


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.



Physical Modelling In Geotechnics Volume 1


Physical Modelling In Geotechnics Volume 1
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Author : Andrew McNamara
language : en
Publisher: CRC Press
Release Date : 2018-07-11

Physical Modelling In Geotechnics Volume 1 written by Andrew McNamara and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-07-11 with Technology & Engineering categories.


Physical Modelling in Geotechnics collects more than 1500 pages of peer-reviewed papers written by researchers from over 30 countries, and presented at the 9th International Conference on Physical Modelling in Geotechnics 2018 (City, University of London, UK 17-20 July 2018). The ICPMG series has grown such that two volumes of proceedings were required to publish all contributions. The books represent a substantial body of work in four years. Physical Modelling in Geotechnics contains 230 papers, including eight keynote and themed lectures representing the state-of-the-art in physical modelling research in aspects as diverse as fundamental modelling including sensors, imaging, modelling techniques and scaling, onshore and offshore foundations, dams and embankments, retaining walls and deep excavations, ground improvement and environmental engineering, tunnels and geohazards including significant contributions in the area of seismic engineering. ISSMGE TC104 have identified areas for special attention including education in physical modelling and the promotion of physical modelling to industry. With this in mind there is a special themed paper on education, focusing on both undergraduate and postgraduate teaching as well as practicing geotechnical engineers. Physical modelling has entered a new era with the advent of exciting work on real time interfaces between physical and numerical modelling and the growth of facilities and expertise that enable development of so called ‘megafuges’ of 1000gtonne capacity or more; capable of modelling the largest and most complex of geotechnical challenges. Physical Modelling in Geotechnics will be of interest to professionals, engineers and academics interested or involved in geotechnics, geotechnical engineering and related areas. The 9th International Conference on Physical Modelling in Geotechnics was organised by the Multi Scale Geotechnical Engineering Research Centre at City, University of London under the auspices of Technical Committee 104 of the International Society for Soil Mechanics and Geotechnical Engineering (ISSMGE). City, University of London, are pleased to host the prestigious international conference for the first time having initiated and hosted the first regional conference, Eurofuge, ten years ago in 2008. Quadrennial regional conferences in both Europe and Asia are now well established events giving doctoral researchers, in particular, the opportunity to attend an international conference in this rapidly evolving specialist area. This is volume 1 of a 2-volume set.



Modelling Of Minerals And Silicated Materials


Modelling Of Minerals And Silicated Materials
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Author : B. Silvi
language : en
Publisher: Springer Science & Business Media
Release Date : 2006-04-11

Modelling Of Minerals And Silicated Materials written by B. Silvi 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 2006-04-11 with Science categories.


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.