Surface Complexation Modelling

Author : Johannes Lutzenkirchen
Publisher : Elsevier
ISBN 13 : 0080467784
Total Pages : 653 pages
Book Rating : 4.88/5 ( download)

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Download or read book Surface Complexation Modelling written by Johannes Lutzenkirchen and published by Elsevier. This book was released on 2006-09-02 with total page 653 pages. Available in PDF, EPUB and Kindle. Book excerpt: Surface Complexation Modelling deals with various aspects associate to the modelling of solutes adsorption from of solutes from aqueous solutions to minerals. The individual contributions cover fundamental aspects and applications. Applications cover case studies and present consistent surface complexation parameter sets. The model approaches range from simplistic to mechanistic. More fundamental contributions address underlying phenomena or stress the opportunities of modern computational methods. Several mineral systems are covered, including goethite, gibbsite, clay minerals etc.Surface Complexation Modelling presents the state-of-the-art of surface complexation modelling and suggests ideas for further model development. A number of chapters are authored by scientists working on nuclear waste storage, where the retention of radionuclides contributes to preventing radionuclide migration from the repository to the biosphere. Other contributions come from soil and environmental chemists with an interest in reactive transport of pollutants in soils or aquifers. Covering a wide range of disciplines Bringing together contributions from experts in the field Providing a balance between the theoretical and applied aspects

Author : Athanasios K. Karamalidis
Publisher : John Wiley & Sons
ISBN 13 : 1118063104
Total Pages : 268 pages
Book Rating : 4.01/5 ( download)

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Download or read book Surface Complexation Modeling written by Athanasios K. Karamalidis and published by John Wiley & Sons. This book was released on 2011-02-14 with total page 268 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a description of the generalized two layer surface complexation model, data treatment procedures, and thermodynamic constants for sorption of metal cations and anions on gibbsite, the most common form of aluminum oxide found in nature and one of the most abundant minerals in soils, sediments, and natural waters. The book provides a synopsis of aluminum oxide forms and a clearly defined nomenclature. Compilations of available data for sorption of metal cations and anions on gibbsite are presented, and the results of surface complexation model fitting of these data are given. The consistency of the thermodynamic surface complexation constants extracted from the data is examined through development of linear free energy relationships which are also used to predict thermodynamic constants for ions for which insufficient data are available to extract constants. The book concludes with a comparison of constants extracted from data for sorption on gibbsite with those determined previously for hydrous ferric oxide (HFO), hydrous manganese oxide (HMO), and goethite. The overall objective of this book is the development and presentation of an internally consistent thermodynamic database for sorption of inorganic cations and anions on gibbsite, an abundant and reactive mineral in soils, sediments, and aquatic systems. Its surface has a high affinity for sorption of metal cations and anions, including radionuclides. The gibbsite database will enable simulation and prediction of the influence of sorption on the fate of these chemical species in natural systems and treatment processes in which aluminum oxides are abundant. It thus will help to advance the practical application of surface complexation modeling.

Author : David A. Dzombak
Publisher : John Wiley & Sons
ISBN 13 : 9780471637318
Total Pages : 430 pages
Book Rating : 4.19/5 ( download)

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Download or read book Surface Complexation Modeling written by David A. Dzombak and published by John Wiley & Sons. This book was released on 1991-01-16 with total page 430 pages. Available in PDF, EPUB and Kindle. Book excerpt: Provides a description of the thermodynamic model, data treatment procedures and the thermodynamic constants for hydrous ferric oxide. Includes detailed coverage of the model and the parameter extraction procedure.

Author : Michael F. Hochella
Publisher : Walter de Gruyter GmbH & Co KG
ISBN 13 : 1501509136
Total Pages : 620 pages
Book Rating : 4.31/5 ( download)

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Download or read book Mineral-Water Interface Geochemistry written by Michael F. Hochella and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-12-17 with total page 620 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 23 of Reviews in Mineralogy and accompanying MSA short course covers chemical reactions that take place at mineral-water interfaces. We believe that this book describes most of the important concepts and contributions that have driven mineral-water interface geochemistry to its present state. We begin in Chapter 1 with examples of the global importance of mineral-water interface reactions and a brief review of the contents of the entire book. Thereafter, we have divided the book into four sections, including atomistic approaches (Chapters 2- 3), adsorption (Chapters 4-8), precipitation and dissolution (Chapters 9-11), and oxidation-reduction reactions (Chapters 11-14).

Author : Athanasios K. Karamalidis
Publisher : John Wiley & Sons
ISBN 13 : 0470587687
Total Pages : 324 pages
Book Rating : 4.83/5 ( download)

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Download or read book Surface Complexation Modeling written by Athanasios K. Karamalidis and published by John Wiley & Sons. This book was released on 2010-10-05 with total page 324 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a description of the generalized two layer surface complexation model, data treatment procedures, and thermodynamic constants for sorption of metal cations and anions on gibbsite, the most common form of aluminum oxide found in nature and one of the most abundant minerals in soils, sediments, and natural waters. The book provides a synopsis of aluminum oxide forms and a clearly defined nomenclature. Compilations of available data for sorption of metal cations and anions on gibbsite are presented, and the results of surface complexation model fitting of these data are given. The consistency of the thermodynamic surface complexation constants extracted from the data is examined through development of linear free energy relationships which are also used to predict thermodynamic constants for ions for which insufficient data are available to extract constants. The book concludes with a comparison of constants extracted from data for sorption on gibbsite with those determined previously for hydrous ferric oxide (HFO), hydrous manganese oxide (HMO), and goethite. The overall objective of this book is the development and presentation of an internally consistent thermodynamic database for sorption of inorganic cations and anions on gibbsite, an abundant and reactive mineral in soils, sediments, and aquatic systems. Its surface has a high affinity for sorption of metal cations and anions, including radionuclides. The gibbsite database will enable simulation and prediction of the influence of sorption on the fate of these chemical species in natural systems and treatment processes in which aluminum oxides are abundant. It thus will help to advance the practical application of surface complexation modeling.

Author : Craig M. Bethke
Publisher : Cambridge University Press
ISBN 13 : 1139468324
Total Pages : 564 pages
Book Rating : 4.29/5 ( download)

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Download or read book Geochemical and Biogeochemical Reaction Modeling written by Craig M. Bethke and published by Cambridge University Press. This book was released on 2010-12-09 with total page 564 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a comprehensive overview of reaction processes in the Earth's crust and on its surface, both in the laboratory and in the field. A clear exposition of the underlying equations and calculation techniques is balanced by a large number of fully worked examples. The book uses The Geochemist's Workbench® modeling software, developed by the author and already installed at over 1000 universities and research facilities worldwide. Since publication of the first edition, the field of reaction modeling has continued to grow and find increasingly broad application. In particular, the description of microbial activity, surface chemistry, and redox chemistry within reaction models has become broader and more rigorous. These areas are covered in detail in this new edition, which was originally published in 2007. This text is written for graduate students and academic researchers in the fields of geochemistry, environmental engineering, contaminant hydrology, geomicrobiology, and numerical modeling.

Author : Inamuddin
Publisher : John Wiley & Sons
ISBN 13 : 1119710189
Total Pages : 290 pages
Book Rating : 4.89/5 ( download)

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Download or read book Applied Soil Chemistry written by Inamuddin and published by John Wiley & Sons. This book was released on 2021-04-13 with total page 290 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book explores the state-of-the-art information regarding applied soil sciences. It covers the fundamentals, model concepts, principles, chemical reactions, functions, chemical recycling, chemical weathering, acid-base chemistry, carbon sequestration, and nutrient availability of soils. Also, it includes soil chemistry of heavy-metals, environment, clay, ion-exchange processes, analytical tools and applications. This book helps to understand the about soil characteristics targeting soil chemical reactions and interactions and its applications.

Author : Broder J. Merkel
Publisher : Springer Science & Business Media
ISBN 13 : 3540746684
Total Pages : 230 pages
Book Rating : 4.83/5 ( download)

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Download or read book Groundwater Geochemistry written by Broder J. Merkel and published by Springer Science & Business Media. This book was released on 2008-05-30 with total page 230 pages. Available in PDF, EPUB and Kindle. Book excerpt: To understand hydrochemistry and to analyze natural as well as man-made impacts on aquatic systems, hydrogeochemical models have been used since the 1960’s and more frequently in recent times. Numerical groundwater flow, transport, and geochemical models are important tools besides classical deterministic and analytical approaches. Solving complex linear or non-linear systems of equations, commonly with hundreds of unknown parameters, is a routine task for a PC. Modeling hydrogeochemical processes requires a detailed and accurate water analysis, as well as thermodynamic and kinetic data as input. Thermodynamic data, such as complex formation constants and solubility-products, are often provided as databases within the respective programs. However, the description of surface-controlled reactions (sorption, cation exchange, surface complexation) and kinetically controlled reactions requires additional input data. Unlike groundwater flow and transport models, thermodynamic models, in principal, do not need any calibration. However, considering surface-controlled or kinetically controlled reaction models might be subject to calibration. Typical problems for the application of geochemical models are: • speciation • determination of saturation indices • adjustment of equilibria/disequilibria for minerals or gases • mixing of different waters • modeling the effects of temperature • stoichiometric reactions (e.g. titration) • reactions with solids, fluids, and gaseous phases (in open and closed systems) • sorption (cation exchange, surface complexation) • inverse modeling • kinetically controlled reactions • reactive transport Hydrogeochemical models depend on the quality of the chemical analysis, the boundary conditions presumed by the program, theoretical concepts (e.g.

Author : David L. Parkhurst
Publisher : Createspace Independent Publishing Platform
ISBN 13 : 9781500563103
Total Pages : 518 pages
Book Rating : 4.02/5 ( download)

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Download or read book Description of Input and Examples for Phreeqc Version 3 written by David L. Parkhurst and published by Createspace Independent Publishing Platform. This book was released on 2014-07-17 with total page 518 pages. Available in PDF, EPUB and Kindle. Book excerpt: PHREEQC version 3 is a computer program written in the C and C++ programming languages that is designed to perform a wide variety of aqueous geochemical calculations. PHREEQC implements several types of aqueous models: two ion-association aqueous models (the Lawrence Livermore National Laboratory model and WATEQ4F), a Pitzer specific-ion-interaction aqueous model, and the SIT (Specific ion Interaction Theory) aqueous model. Using any of these aqueous models, PHREEQC has capabilities for (1) speciation and saturation-index calculations; (2) batch-reaction and one-dimensional (1D) transport calculations with reversible and irreversible reactions, which include aqueous, mineral, gas, solid-solution, surface-complexation, and ion-exchange equilibria, and specified mole transfers of reactants, kinetically controlled reactions, mixing of solutions, and pressure and temperature changes; and (3) inverse modeling, which finds sets of mineral and gas mole transfers that account for differences in composition between waters within specified compositional uncertainty limits.

Author : Suprakas Sinha Ray
Publisher : Elsevier
ISBN 13 : 0128219602
Total Pages : 422 pages
Book Rating : 4.07/5 ( download)

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Download or read book Carbon Nanomaterial-Based Adsorbents for Water Purification written by Suprakas Sinha Ray and published by Elsevier. This book was released on 2020-06-27 with total page 422 pages. Available in PDF, EPUB and Kindle. Book excerpt: The deterioration of water quality and unavailability of drinkable water are pressing challenges worldwide. The removal of toxic organic and inorganic pollutants from water is vital for a clean environment, as a response to water scarcity. Adsorption-based water technologies are among the most widely used because of their high efficiency and low cost, without relying on a complex infrastructure. In recent years, carbon nanomaterials (CNMs), such as graphene and derivatives, carbon nanotubes, carbon nanofibers, nanoporous carbon, fullerenes, graphitic carbon nitride, and nanodiamonds have been extensively exploited as adsorbents due to their extraordinary surface properties, ease of modification, large surface area, controlled structural varieties, high chemical stability, porosity, low density, ease of regeneration, and reusability. This book provides a thorough overview of the state of the art in carbon nanomaterials as they are used for adsorption applications in water purifications, as well as addressing their toxicological challenges. This volume primarily explores the fundamentals of adsorption, its mechanical aspects, synthesis and properties of CNMs, and adsorption performances of CNMs and their nanocomposites with organic and inorganic materials. Structural engineering and activation processes produce materials with enhanced adsorptive properties and separation efficiencies. Furthermore, the formation of CNMs with 2D and 3D macro-and microstructures and high porosities is a potential approach to improve adsorption performances and extend CNM use at the industrial level. The book also addresses important issues regarding these adsorbents that potentially affect future research and industrial applications of carbon-based nanoadsorbents in water security. Presents advances in multifunctional 3D superstructures of carbon nanomaterials and their composites for adsorption applications Outlines the fundamentals on synthesis and characterization techniques of carbon-based nanostructures and their composites Assesses the major toxicological challenges in using nanostructured materials as adsorbents for water purification