Surface Complexation Modelling PDF Download

Author: Johannes Lutzenkirchen
Publisher: Elsevier
ISBN: 0080467784
Category : Technology & Engineering
Languages : en
Pages : 653

View

Book Description
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: 1118063104
Category : Science
Languages : en
Pages : 268

View

Book Description
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: 9780471637318
Category : Science
Languages : en
Pages : 430

View

Book Description
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: 1501509136
Category : Science
Languages : en
Pages : 620

View

Book Description
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: Craig M. Bethke
Publisher: Cambridge University Press
ISBN: 1139468324
Category : Science
Languages : en
Pages : 564

View

Book Description
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: 1119710189
Category : Science
Languages : en
Pages : 290

View

Book Description
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: David L. Parkhurst
Publisher: Createspace Independent Publishing Platform
ISBN: 9781500563103
Category : Technology & Engineering
Languages : en
Pages : 518

View

Book Description
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: Broder J. Merkel
Publisher: Springer Science & Business Media
ISBN: 3540746684
Category : Science
Languages : en
Pages : 230

View

Book Description
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: Ian David Brown
Publisher:
ISBN: 0198508700
Category : Science
Languages : en
Pages : 289

View

Book Description
This book describes the bond valence model, a description of acid-base bonding which is becoming increasingly popular particularly in fields such as materials science and mineralogy where solid state inorganic chemistry is important. Recent improvements in crystal structure determination have allowed the model to become more quantitative. Unlike other models of inorganic chemical bonding, the bond valence model is simple, intuitive, and predictive, and can be used for analysing crystal structures and the conceptual modelling of local as well as extended structures. This is the first book to explore in depth the theoretical basis of the model and to show how it can be applied to synthetic and solution chemistry. It emphasizes the separate roles of the constraints of chemistry and of three-dimensional space by analysing the chemistry of solids. Many applications of the model in physics, materials science, chemistry, mineralogy, soil science, surface science, and molecular biology are reviewed. The final chapter describes how the bond valence model relates to and represents a simplification of other models of inorganic chemical bonding.

Author: Yongguan Zhu
Publisher: CRC Press
ISBN: 1351046616
Category : Technology & Engineering
Languages : en
Pages : 715

View

Book Description
The Congress "Arsenic in the Environment" offers an international, multi- and interdisciplinary discussion platform for research and innovation aimed towards a holistic solution to the problem posed by the environmental toxin arsenic, with significant societal impact. The Congress has focused on cutting edge and breakthrough research in physical, chemical, toxicological, medical, agricultural and other specific issues on arsenic across a broader environmental realm. The Biennial Congress "Arsenic in the Environment" was first organized in Mexico City (As2006) followed by As2008 in Valencia (Spain), As2010 in Tainan (Chinese Taiwan), As2012 in Cairns (Australia), As2014 in Buenos Aires (Argentina) and As2016 in Stockholm (Sweden). The 7th International Congress As2018 was held July 1-6, 2018, in Beijing, P. R. China and was entitled Environmental Arsenic in a Changing World. The Congress addressed the broader context of arsenic research aligned on the following themes: Theme 1: Arsenic Behaviour in Changing Environmental Media Theme 2: Arsenic in a Changing Agricultural Ecosystem Theme 3: Health Impacts of Environmental Arsenic Theme 4: Technologies for Arsenic Immobilization and Clean Water Blueprints Theme 5: Sustainable Mitigation and Management Arsenic in drinking water (mainly groundwater) has emerged as an issue of global health concern. During last decade, the presence of arsenic in rice, possibly also other food of plant origins, has attained increasing attention. This is particularly true in the Asian countries, where the use of high arsenic groundwater as source of irrigation water and drinking water has been flagged as severe health concern. This has been accentuated by elevating arsenic concentrations in deep groundwater recharged from shallow high arsenic groundwater, which may have further detrimental effects on public health. Notably, China has been in the forefront of research on arsenic biogeochemical cycling, health effects of arsenic, technologies for arsenic removal, and sustainable mitigation measures. The Congress has attracted professionals involved in different segments of interdisciplinary research on arsenic in an open forum, and strengthened relations between academia, research institutions, government and non-governmental agencies, industries, and civil society organizations to share an optimal ambience for exchange of knowledge.