Computer Simulation and Theoretical Studies of Liquid       Mixtures:  Towards a Unified Theory
{'Code': '07020000', 'Directorate': {'LongName': 'Directorate For Engineering'}, 'Division': {'LongName': 'Div Of Chem, Bioeng, Env, & Transp Sys'}}
{'SignBlockName': 'Robert M. Wellek'}
The thermodynamic properties and phase equilibria of molecularly                complex fluid mixtures are being studied using computer simulation and          theoretical methods.  The research is part of a comprehensive program           that combines the methods of theory, simulation, and experiment.  The           study focuses on three types of fluids:  those composed of nonspherical         and polar molecules, hydrogen-bonded and associated molecules, and              electrolytes.  Increasingly sophisticated molecular dynamics and Monte          Carlo simulation techniques are being developed to study such mixtures.         These simulations are used to test both the statistical mechanical              theories (perturbation and resummed cluster expansions) that are being          developed, and also the intermolecular force models for these fluids.           If successful, these methods will eventually replace the highly                 simplified and ad hoc methods used by engineers for complex mixtures.
[{'FirstName': 'Keith', 'LastName': 'Gubbins', 'EmailAddress': 'keg@ncsu.edu', 'StartDate': '09/01/1985', 'EndDate': None, 'RoleCode': 'Principal Investigator'}, {'FirstName': 'William', 'LastName': 'Streett', 'EmailAddress': None, 'StartDate': '09/01/1985', 'EndDate': None, 'RoleCode': 'Co-Principal Investigator'}]
{'Name': 'Cornell University', 'CityName': 'Ithaca', 'ZipCode': '148502820', 'PhoneNumber': '6072555014', 'StreetAddress': '373 Pine Tree Road', 'CountryName': 'United States', 'StateName': 'New York', 'StateCode': 'NY'}
{'Code': '1414', 'Text': 'INTERFAC PROCESSES & THERMODYN'}
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