Research Initiation:  Development of a Thermodynamic        Perturbation Theory for Electrolyte Solutions
{'Code': '07020000', 'Directorate': {'Abbreviation': 'ENG', 'LongName': 'Directorate For Engineering'}, 'Division': {'Abbreviation': 'CBET', 'LongName': 'Div Of Chem, Bioeng, Env, & Transp Sys'}}
{'SignBlockName': 'Robert M. Wellek', 'PO_EMAI': None, 'PO_PHON': None}
An equation of state of aqueous electrolyte solutions at finite                 concentrations is developed in this work.  The approach is based upon           a new thermodynamic perturbation theory in which the reference fluid            is taken to be a mixture of neutral and charged spheres.  Interactions          arising from solvent polarity are treated as the perturbation.  The             properties of the new reference fluid are obtained from numerical               solutions of the Ornstein-Zernicke integral equation using finite               element methods.  The direct correlation function for charged pairs is          approximated by the HNC equation and PY closure used for other pairs.           The accuracy of these correlation functions are tested by comparison            with computer simulations.                                                                                                                                      This basic research is required in the development of a predictive              description of electrolyte solution thermodynamics and phase                    equilibria.  The work is partially motivated by a continuing interest           in the application of statistical mechanics to the description of               fluid interfaces.  Aside from the role played in the development of             interfacial science, a predictive description of ionic solutions is             urgently needed for the synthesis and optimization of industrial                processes, for the description of chemically complex aqueous                    environments, and for an understanding of some biological systems.
{'FirstName': 'John', 'LastName': 'Eggebrecht', 'PI_MID_INIT': 'M', 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'John M Eggebrecht', 'EmailAddress': None, 'NSF_ID': '000297746', 'StartDate': '06/15/1988', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
{'Name': 'Iowa State University', 'CityName': 'AMES', 'ZipCode': '500112103', 'PhoneNumber': '5152945225', 'StreetAddress': '1350 BEARDSHEAR HALL', 'StreetAddress2': '515 MORRILL ROAD', 'CountryName': 'United States', 'StateName': 'Iowa', 'StateCode': 'IA', 'CONGRESSDISTRICT': '04', 'CONGRESS_DISTRICT_ORG': 'IA04', 'ORG_UEI_NUM': 'DQDBM7FGJPC5', 'ORG_LGL_BUS_NAME': 'IOWA STATE UNIVERSITY OF SCIENCE AND TECHNOLOGY', 'ORG_PRNT_UEI_NUM': None}
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{'Code': '1414', 'Text': 'INTERFAC PROCESSES & THERMODYN'}
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