Chemical modeling of aqueous systems II : developed from a symposium sponsored by the Division of Geochemistry at the 196th National Meeting of the American Chemical Society, Los Angeles, California, September 25-30, 1988 / Daniel C. Melchior, editor, R.L. Bassett, editor.

Contributor(s): Melchior, Daniel C, 1958- | Bassett, R. L. (Randy L.), 1948- | American Chemical Society. Division of Geochemistry | American Chemical Society (196th : 1988 : (196th : 1988 : Los Angeles, Calif.).
Material type: materialTypeLabelBookSeries: ACS symposium series: 416Publisher: Washington, DC : American Chemical Society, 1990Description: xvi, 556 pages : illustrations ; 24 cm.ISBN: 0841217297 (alk. paper); 9780841217294 (alk. paper).Other title: Chemical modeling of aqueous systems 2.Subject(s): CHEMISTRY | MODELLING | MATHEMATICAL MODELS | AQUEOUS SYSTEMS | SOLUTIONS | WATER CHEMISTRY | WATER | THERMODYNAMICS | EQUILIBRIUM | ORGANIC COMPOUNDS | CONFERENCESHoldings: GRETA POINT: 544.35 CHE
Contents:
Preface -- Memorial to Robert M. Garrels -- 1. Chemical modeling of aqueous systems: an overview / R.L. Bassett and Daniel C. Melchior -- AQUEOUS THERMODYNAMICS AND THEORETICAL ADVANCEMENTS -- 2. Activity coefficients in aqueous salt solutions: hydration theory equations / Thomas J. Wolery and Kenneth J. Jackson -- 3. Ion-association models and mean activity coefficients of various salts / David L. Parkhurst -- 4. Models for aqueous electrolyte mixtures for systems extending from dilute solutions to fused salts / Roberto T. Pabalan and Kenneth S. Pitzer -- 5. Solubility of volatile electrolytes in multicomponent solutions with atmospheric applications / Simon L. Clegg and Peter Brimblecombe -- 6. Modeling solid-solution reactions in low-temperature aqueous systems / Pierre D. Glynn -- 7. Effect of pressure on aqueous equilibria / Pradeep K. Aggarwal, William D. Gunter, and Yousif K. Kharaka -- CODE DEVELOPMENT AND DOCUMENTATION -- 8. Current status of the EQ3/6 software package for geochemical modeling / Thomas J. Wolery, Kenneth J. Jackson, William L. Bourcier, Carol J. Bruton, Brian E. Viani, Kevin G. Knauss, and Joan M. Delany -- 9. Geochemical modeling of water-rock interactions using SOLMINEQ. 88 / Ernest H. Perkins, Yousif K. Kharaka, William D. Gunter, and Jeffrey D. DeBraal -- 10. Application of the Pitzer equations to the PHREEQE geochemical model / L. Niel Plummer and David L. Parkhurst -- APPLICATIONS TO MODELING: EQUILIBRIUM AND MASS TRANSFER -- 11. Reconstruction of reaction pathways in a rock-fluid system using MINTEQ / Hannah F. Pavlik and Donald D. Runnells -- 12. Hydrogeochemical interactions and evolution of acidic solutions in soil / Patrick Longmire, Douglas G. Brookins, and Bruce M. Thomson -- 13. Geochemistry of organic acids in subsurface waters: field data, experimental data, and models / Paul D. Lundegard and Yousif K. Kharaka -- 14. Carbon isotope mass transfer as evidence for contaminant dilution / Laura Toran -- 15. Transport of ¹⁴CO₂ in unsaturated glacial and eolian sediments / Robert G. Striegl and Richard W. Healy -- APPLICATIONS TO MODELING: TRANSPORT AND COUPLED CODES -- 16. Evolution of dissolution patterns: permeability change due to coupled flow and reaction / Carl I. Steefel and Antonio C. Lasaga -- 17. Modeling dynamic hydrothermal processes by coupling sulfur isotope distributions with chemical mass transfer: approach / David R. Janecky -- 18. Coupling of precipitation-dissolution reactions to mass diffusion via porosity changes / Chalon L. Carnahan -- 19. Simulation of molybdate transport with different rate-controlled mechanisms / Kenneth G. Stollenwerk and Kenneth L. Kipp -- APPLICATIONS TO MODELING: SURFACE CHEMISTRY -- 20. Numerical simulation of coadsorption of ionic surfactants with inorganic ions on quartz / Rebecca L. Rea and George A. Parks -- 21. Constant-capacitance surface complexation model: adsorption in silica-iron binary oxide suspensions / Paul R. Anderson and Mark M. Benjamin -- 22. Influence of temperature on ion adsorption by hydrous metal oxides / Michael L. Machesky -- 23. Coagulation of iron oxide particles in the presence of organic materials: application of surface chemical model / Liyuan Liang and James J. Morgan -- ADVANCEMENTS IN MODELING: MODELING SENSITIVITIES -- 24. Uncertainties in ground water chemistry and sampling procedures / Michael J. Barcelona -- 25. Using chemical analyses and assessing quality in aqueous environmental monitoring programs / Thomas R. Wildeman, Leslie S. Laudon, Roger L. Olsen, and Richard W. Chappell -- 26. Expert systems to support geochemical modeling / F.J. Pearson, Jr., B. Skytte Jensen, and Andreas Haug -- 27. Numerical modeling of platinum Eh measurements by using heterogeneous electron-transfer kinetics / J. Houston Kempton, Ralph D. Lindberg, and Donald D. Runnells -- 28. Use of model-generated Fe³ ion activities to compute Eh and ferric oxyhydroxide solubilities in anaerobic systems / Donald L. Macalady, Donald Langmuir, Timothy Grundl, and Alan Elzerman -- 29. Energetics and conservative properties of redox systems / Michael J. Scott and James J. Morgan -- 30. Rates of inorganic oxidation reactions involving dissolved oxygen / L. Edmond Eary and Janet A. Schramke -- ADVANCEMENTS IN MODELING: THERMODYNAMIC AND KINETIC ADVANCES -- 31. Revised chemical equilibrium data for major water-mineral reactions and their limitations / Darrell Kirk Nordstrom, L. Niel Plummer, Donald Langmuir, Eurybiades Busenberg, Howard M. May, Blair F. Jones, and David L. Parkhurst -- 32. Solubilities of aluminum hydroxides and oxyhydroxides in alkaline solutions: correlation with thermodynamic properties of Al(OH)₄⁻ / John A. Apps and John M. Neil -- 33. Aluminum hydrolysis reactions and products in mildly acidic aqueous systems / John D. Hem and Charles E. Roberson -- 34. Effect of ionic interactions on the oxidation rates of metals in natural waters / Frank J. Millero -- 35. Role of reactive-surface-area characterization in geochemical kinetic models / Art F. White and Maria L. Peterson -- ADVANCEMENTS IN MODELING: ORGANIC COMPOUNDS -- 36. Quantitative structure-activity relationship models for predicting aqueous solubility: comparison of three major approaches / Nagamany N. Nirmalakhandan and Richard E. Speece -- 37. Equilibrium model for organic materials in water / Frank R. Groves, Jr. and Majd El-Zoobi -- 38. Importance of organic-inorganic reactions to modeling water-rock interactions during progressive clastic diagenesis / Donald B. MacGowan and Ronald C. Surdam -- 39. Copper complexation by natural organic matter in ground water / Thomas R. Holm and Charles D. Curtiss III -- 40. Kinetics of rare earth metal binding to aquatic humic acids / Sue B. Clark and Gregory R. Choppin -- 41. Microscale processes in porous media: transport of chlorinated benzenes in porous aggregates / Roger C. Bales and James E. Szecsody -- INDEXES -- Author Index -- Affiliation Index -- Subject Index.
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544.35 CHE 1 Available B021386

Previous symposium published under title: Chemical modeling in aqueous systems. 1979.

Includes bibliographical references and indexes.

Preface -- Memorial to Robert M. Garrels -- 1. Chemical modeling of aqueous systems: an overview / R.L. Bassett and Daniel C. Melchior -- AQUEOUS THERMODYNAMICS AND THEORETICAL ADVANCEMENTS -- 2. Activity coefficients in aqueous salt solutions: hydration theory equations / Thomas J. Wolery and Kenneth J. Jackson -- 3. Ion-association models and mean activity coefficients of various salts / David L. Parkhurst -- 4. Models for aqueous electrolyte mixtures for systems extending from dilute solutions to fused salts / Roberto T. Pabalan and Kenneth S. Pitzer -- 5. Solubility of volatile electrolytes in multicomponent solutions with atmospheric applications / Simon L. Clegg and Peter Brimblecombe -- 6. Modeling solid-solution reactions in low-temperature aqueous systems / Pierre D. Glynn -- 7. Effect of pressure on aqueous equilibria / Pradeep K. Aggarwal, William D. Gunter, and Yousif K. Kharaka -- CODE DEVELOPMENT AND DOCUMENTATION -- 8. Current status of the EQ3/6 software package for geochemical modeling / Thomas J. Wolery, Kenneth J. Jackson, William L. Bourcier, Carol J. Bruton, Brian E. Viani, Kevin G. Knauss, and Joan M. Delany -- 9. Geochemical modeling of water-rock interactions using SOLMINEQ. 88 / Ernest H. Perkins, Yousif K. Kharaka, William D. Gunter, and Jeffrey D. DeBraal -- 10. Application of the Pitzer equations to the PHREEQE geochemical model / L. Niel Plummer and David L. Parkhurst -- APPLICATIONS TO MODELING: EQUILIBRIUM AND MASS TRANSFER -- 11. Reconstruction of reaction pathways in a rock-fluid system using MINTEQ / Hannah F. Pavlik and Donald D. Runnells -- 12. Hydrogeochemical interactions and evolution of acidic solutions in soil / Patrick Longmire, Douglas G. Brookins, and Bruce M. Thomson -- 13. Geochemistry of organic acids in subsurface waters: field data, experimental data, and models / Paul D. Lundegard and Yousif K. Kharaka -- 14. Carbon isotope mass transfer as evidence for contaminant dilution / Laura Toran -- 15. Transport of ¹⁴CO₂ in unsaturated glacial and eolian sediments / Robert G. Striegl and Richard W. Healy -- APPLICATIONS TO MODELING: TRANSPORT AND COUPLED CODES -- 16. Evolution of dissolution patterns: permeability change due to coupled flow and reaction / Carl I. Steefel and Antonio C. Lasaga -- 17. Modeling dynamic hydrothermal processes by coupling sulfur isotope distributions with chemical mass transfer: approach / David R. Janecky -- 18. Coupling of precipitation-dissolution reactions to mass diffusion via porosity changes / Chalon L. Carnahan -- 19. Simulation of molybdate transport with different rate-controlled mechanisms / Kenneth G. Stollenwerk and Kenneth L. Kipp -- APPLICATIONS TO MODELING: SURFACE CHEMISTRY -- 20. Numerical simulation of coadsorption of ionic surfactants with inorganic ions on quartz / Rebecca L. Rea and George A. Parks -- 21. Constant-capacitance surface complexation model: adsorption in silica-iron binary oxide suspensions / Paul R. Anderson and Mark M. Benjamin -- 22. Influence of temperature on ion adsorption by hydrous metal oxides / Michael L. Machesky -- 23. Coagulation of iron oxide particles in the presence of organic materials: application of surface chemical model / Liyuan Liang and James J. Morgan -- ADVANCEMENTS IN MODELING: MODELING SENSITIVITIES -- 24. Uncertainties in ground water chemistry and sampling procedures / Michael J. Barcelona -- 25. Using chemical analyses and assessing quality in aqueous environmental monitoring programs / Thomas R. Wildeman, Leslie S. Laudon, Roger L. Olsen, and Richard W. Chappell -- 26. Expert systems to support geochemical modeling / F.J. Pearson, Jr., B. Skytte Jensen, and Andreas Haug -- 27. Numerical modeling of platinum Eh measurements by using heterogeneous electron-transfer kinetics / J. Houston Kempton, Ralph D. Lindberg, and Donald D. Runnells -- 28. Use of model-generated Fe³ ion activities to compute Eh and ferric oxyhydroxide solubilities in anaerobic systems / Donald L. Macalady, Donald Langmuir, Timothy Grundl, and Alan Elzerman -- 29. Energetics and conservative properties of redox systems / Michael J. Scott and James J. Morgan -- 30. Rates of inorganic oxidation reactions involving dissolved oxygen / L. Edmond Eary and Janet A. Schramke -- ADVANCEMENTS IN MODELING: THERMODYNAMIC AND KINETIC ADVANCES -- 31. Revised chemical equilibrium data for major water-mineral reactions and their limitations / Darrell Kirk Nordstrom, L. Niel Plummer, Donald Langmuir, Eurybiades Busenberg, Howard M. May, Blair F. Jones, and David L. Parkhurst -- 32. Solubilities of aluminum hydroxides and oxyhydroxides in alkaline solutions: correlation with thermodynamic properties of Al(OH)₄⁻ / John A. Apps and John M. Neil -- 33. Aluminum hydrolysis reactions and products in mildly acidic aqueous systems / John D. Hem and Charles E. Roberson -- 34. Effect of ionic interactions on the oxidation rates of metals in natural waters / Frank J. Millero -- 35. Role of reactive-surface-area characterization in geochemical kinetic models / Art F. White and Maria L. Peterson -- ADVANCEMENTS IN MODELING: ORGANIC COMPOUNDS -- 36. Quantitative structure-activity relationship models for predicting aqueous solubility: comparison of three major approaches / Nagamany N. Nirmalakhandan and Richard E. Speece -- 37. Equilibrium model for organic materials in water / Frank R. Groves, Jr. and Majd El-Zoobi -- 38. Importance of organic-inorganic reactions to modeling water-rock interactions during progressive clastic diagenesis / Donald B. MacGowan and Ronald C. Surdam -- 39. Copper complexation by natural organic matter in ground water / Thomas R. Holm and Charles D. Curtiss III -- 40. Kinetics of rare earth metal binding to aquatic humic acids / Sue B. Clark and Gregory R. Choppin -- 41. Microscale processes in porous media: transport of chlorinated benzenes in porous aggregates / Roger C. Bales and James E. Szecsody -- INDEXES -- Author Index -- Affiliation Index -- Subject Index.

GRETA POINT: 544.35 CHE

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