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.
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