Surface Complexation Modelling - 1st Edition - ISBN: 9780123725721, 9780080467788

Surface Complexation Modelling, Volume 11

1st Edition

Editors: Johannes Lutzenkirchen
Hardcover ISBN: 9780123725721
eBook ISBN: 9780080467788
Imprint: Academic Press
Published Date: 2nd September 2006
Page Count: 652
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Table of Contents

Fundamentals
Solution chemistry, solubility and surface charge measurements
Chapter 1. The ionic strength dependency of mineral solubility and chemical speciation in solution (L.-O. Öhman et al.).
Chapter 2. Accuracy in the determination of acid-base properties of metal oxides surfaces (G. Lefèvre et al.).

Electrical double layer
Chapter 3. Diffuse double layer equations for use in surface complexation models: Approximations and limits (H. Ohshima).
Chapter 4. Fits to hypernetted chain calculations for electrostatic potential and ion concentrations for use in surface complexation (P. Attard).
Chapter 5. The effects of ion size on double layer properties:
Theory and Monte Carlo simulations (W. R. Fawcett). Thermodynamic approach to surface complexation.
Chapter 6. Thermodynamics of the solid/liquid interface - its application to adsorption and Colloid stability (N. Kallay et al.).
Chapter 7. Standard molar Gibbs energies and activity coefficients of surface complexes on mineral-water interfaces (thermodynamic insights) (D.A. Kulik).

Macroscopic observations and molecular level understanding
Chapter 8. The CD-MUSIC model as a framework for interpreting ion adsorption on metal (hydr) oxide surfaces (W.H. van Riemsdijk, T. Hiemstra).
Chapter 9. Is there hope for Multi-Site Complexation (MUSIC) modelling? (B.R. Bickmore et al.).
Chapter 10. Molecular-Level Thermodynamic Models for the Origin and Distribution of Charge at the Metal Oxide/Water Interface (J.-F. Boily).
Chapter 11. Surface complexation of zinc cation with hydroxyapatite, molecular dynamics and surface durability (L. Charlet et al.).

Effects of temperature
Chapter 12. Ion adsorption into the hydrothermal regime: Experimental and modeling approaches (M.L. Machesky et al.).

Site heterogeneity
Chapter 13. Computational molecular basis for improved silica surface complexation models (N. Sahai, K.M. Rosso).

Applications
Applications to the adsorption of common inorganic ions

Silica
Chapter 14. Spectroscopic and kinetic confirmations of quartz surface complexation model (J.A. Mielczarski, O.S. Pokrovsky).

Goethite
Chapter 15. Triple layer modelling of carbonate adsorption on goethites with variable adsorption capacities based on congruent site-occupancy (M. Villalobos).
Chapter 16. Surface Complexation Modeling: Goethite (S.S. Mathur, D.A. Dzombak).

Gibbsite
Chapter 17. 1-pK modelling strategies for adsorption of some trace elements onto gibbsite (M.M. Miedaner et al.).

Soils
Chapter 18. Prediction of anion adsorption and transport in soil systems using the constant capacitance model (S. Goldberg, D.L. Suarez).

Application to the adsorption of radionuclides Clays
Chapter 19. A quasi-mechanistic non-electrostatic modelling approach to metal sorption on clay minerals (M.H. Bradbury, B. Baeyens).
Chapter 20. Reactivity of bentonite: an additive model applied to uranyl sorption (M. Wolthers et al.).
Chapter 21. Applying surface complexation modeling to radionuclide sorption (D. R. Turner et al.).
Chapter 22. Comparative evaluation of surface complexation models for radionuclide uptake by diverse geologic materials (T. E. Payne et al.).


Description

Fundamentals
Solution chemistry, solubility and surface charge measurements
Chapter 1. The ionic strength dependency of mineral solubility and chemical speciation in solution (L.-O. Öhman et al.).
Chapter 2. Accuracy in the determination of acid-base properties of metal oxides surfaces (G. Lefèvre et al.).

Electrical double layer
Chapter 3. Diffuse double layer equations for use in surface complexation models: Approximations and limits (H. Ohshima).
Chapter 4. Fits to hypernetted chain calculations for electrostatic potential and ion concentrations for use in surface complexation (P. Attard).
Chapter 5. The effects of ion size on double layer properties:
Theory and Monte Carlo simulations (W. R. Fawcett). Thermodynamic approach to surface complexation.
Chapter 6. Thermodynamics of the solid/liquid interface - its application to adsorption and Colloid stability (N. Kallay et al.).
Chapter 7. Standard molar Gibbs energies and activity coefficients of surface complexes on mineral-water interfaces (thermodynamic insights) (D.A. Kulik).

Macroscopic observations and molecular level understanding
Chapter 8. The CD-MUSIC model as a framework for interpreting ion adsorption on metal (hydr) oxide surfaces (W.H. van Riemsdijk, T. Hiemstra).
Chapter 9. Is there hope for Multi-Site Complexation (MUSIC) modelling? (B.R. Bickmore et al.).
Chapter 10. Molecular-Level Thermodynamic Models for the Origin and Distribution of Charge at the Metal Oxide/Water Interface (J.-F. Boily).
Chapter 11. Surface complexation of zinc cation with hydroxyapatite, molecular dynamics and surface durability (L. Charlet et al.).

Effects of temperature
Chapter 12. Ion adsorption into the hydrothermal regime: Experimental and modeling approaches (M.L. Machesky et al.).

Site heterogeneity
Chapter 13. Computational molecular basis for improved silica surface complexation models (N. Sahai, K.M. Rosso).

Applications
Applications to the adsorption of common inorganic ions

Silica
Chapter 14. Spectroscopic and kinetic confirmations of quartz surface complexation model (J.A. Mielczarski, O.S. Pokrovsky).

Goethite
Chapter 15. Triple layer modelling of carbonate adsorption on goethites with variable adsorption capacities based on congruent site-occupancy (M. Villalobos).
Chapter 16. Surface Complexation Modeling: Goethite (S.S. Mathur, D.A. Dzombak).

Gibbsite
Chapter 17. 1-pK modelling strategies for adsorption of some trace elements onto gibbsite (M.M. Miedaner et al.).

Soils
Chapter 18. Prediction of anion adsorption and transport in soil systems using the constant capacitance model (S. Goldberg, D.L. Suarez).

Application to the adsorption of radionuclides Clays
Chapter 19. A quasi-mechanistic non-electrostatic modelling approach to metal sorption on clay minerals (M.H. Bradbury, B. Baeyens).
Chapter 20. Reactivity of bentonite: an additive model applied to uranyl sorption (M. Wolthers et al.).
Chapter 21. Applying surface complexation modeling to radionuclide sorption (D. R. Turner et al.).
Chapter 22. Comparative evaluation of surface complexation models for radionuclide uptake by diverse geologic materials (T. E. Payne et al.).

Key Features

  • Covering a wide range of disciplines
  • Bringing together contributions from experts in the field
  • Providing a balance between the theoretical and applied aspects

Readership

For chemical engineers, colloid chemists, environmental scientists


Details

No. of pages:
652
Language:
English
Copyright:
© Academic Press 2006
Published:
Imprint:
Academic Press
eBook ISBN:
9780080467788
Hardcover ISBN:
9780123725721

About the Editors

Johannes Lutzenkirchen Editor

Dr. Johannes Lützenkirchen has been involved in surface complexation modelling for nearly 25 years. Starting with his PhD studies in Strasbourg (France), influenced by co-workers of Werner Stumm (aquatic chemistry), continuing with a post-doc in Umea (Sweden) in an environment that combines influences of Lars Gunnar Sillen (solution speciation) and Paul Schindler (surface complexation), and subsequently gaining some insight in consulting at Colenco (Baden, Switzerland) related to nuclear waste disposal with focus on long term safety assessment, he has currently been employed at KIT for more than 15 years. At the Institute for Nuclear Waste Disposal (INE), he is mainly involved in surface studies and to some extent in reactive transport modeling. On web-of-science he presently has more than 90 publications. He has edited one book, and written several book chapters. His main research interests and activities continue to be directed at understanding solution and mineral surface reactions of dissolved radionuclides. He has also some interest in fundamental studies on water solid interfaces and water structure.

Affiliations and Expertise

Institute für Nucleare Entsorgung, Forschungszentrum Karlsruhe Karlsruhe, Germany