Toward a Molecular-Based Understanding of High-Temperature Solvation Phenomena in Aqueous Electrolyte Solutions

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The theoretical treatment of the solvation phenomenon of simple ions in aqueous solutions has been rather difficult, despite the apparent simplicity of the system. Long-range solvent-screened electrostatic interactions, coupled to the large variation (with state conditions) of the dielectric permittivity of water, give rise to a variety of rather complex solvation phenomena including dielectric saturation, electrostriction, and ion association. Notably, ion solvation in high-temperature/pressure aqueous solutions plays a leading role in hydrothermal chemistry, such as in the natural formation of ore deposits, the corrosion in boilers and reactors, and in high-temperature microbiology. Tremendous effort has been invested in the study ... continued below

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4 pages

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Chialvo, A. A.; Cummings, P. T.; Kusalik, P. G. & Simonson, J. M. October 30, 1999.

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The theoretical treatment of the solvation phenomenon of simple ions in aqueous solutions has been rather difficult, despite the apparent simplicity of the system. Long-range solvent-screened electrostatic interactions, coupled to the large variation (with state conditions) of the dielectric permittivity of water, give rise to a variety of rather complex solvation phenomena including dielectric saturation, electrostriction, and ion association. Notably, ion solvation in high-temperature/pressure aqueous solutions plays a leading role in hydrothermal chemistry, such as in the natural formation of ore deposits, the corrosion in boilers and reactors, and in high-temperature microbiology. Tremendous effort has been invested in the study of hydrothermal solutions to determine their thermodynamic, transport, and spectroscopic properties with the goal of elucidating the solute-solvent and solute-solute interactions over a wide range of state conditions. It is precisely at these conditions where our understanding and predictive capabilities are most precarious, in part, as a result of the coexistence of processes with two rather different length scales, i.e., short-ranged (solvation) and long-ranged (compressibility-driven) phenomena (Chialvo and Cummings 1994a). The latter feature makes hydrothermal systems extremely challenging to model, unless we are able to isolate the (compressibility-driven) propagation of the density perturbation from the (solvation-related) finite-density perturbation phenomena (Chialvo and Cummings 1995a).

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4 pages

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  • AIChE Annual Meeting, Dallas, TX, October 30-November 5, 1999

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  • Other: DE00007835
  • Report No.: ORNL/CP-102919
  • Grant Number: AC05-96OR22464
  • Office of Scientific & Technical Information Report Number: 7835
  • Archival Resource Key: ark:/67531/metadc720044

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Office of Scientific & Technical Information Technical Reports

Reports, articles and other documents harvested from the Office of Scientific and Technical Information.

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  • October 30, 1999

Added to The UNT Digital Library

  • Sept. 29, 2015, 5:31 a.m.

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  • Feb. 15, 2016, 12:30 p.m.

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Chialvo, A. A.; Cummings, P. T.; Kusalik, P. G. & Simonson, J. M. Toward a Molecular-Based Understanding of High-Temperature Solvation Phenomena in Aqueous Electrolyte Solutions, article, October 30, 1999; Oak Ridge, Tennessee. (digital.library.unt.edu/ark:/67531/metadc720044/: accessed November 20, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.