Theoretical Studies of the Liquid State
{'Code': '03090004', 'Directorate': {'Abbreviation': 'MPS', 'LongName': 'Direct For Mathematical & Physical Scien'}, 'Division': {'Abbreviation': 'CHE', 'LongName': 'Division Of Chemistry'}}
{'SignBlockName': 'Richard Hilderbrandt', 'PO_EMAI': None, 'PO_PHON': None}
Dr. David Oxtoby is supported by a grant from The Theoretical                   and Computational Chemistry Program to use statistical                          mechanical techniques to study the rate of nucleation of                        liquids from gases and of gases from liquids, both in free                      space and at solid surfaces.  Nucleation studies of                             crystallization from atomic fluids, molten salts, colloidal                     suspensions, molecular liquids, metals and metallic alloys will                 also be conducted.  An understanding of the nucleation process                  is of fundamental importance in atmospheric science, and in                     chemical separations.                                                                                                                                           Dr. Oxtoby has recently been successful in using density                        functional methodology to study the gas-liquid nucleation                       process.  In this theory, the free energy of the system is                      expressed as a functional of the particle density which is                      assumed to be spherically symmetric.  Extrema of this                           functional are used to characterize the transition state, both                  barrier height and shape, for the nucleation process.  This                     methodology has already been successfully demonstrated for                      gas-liquid nucleation in simple fluids, and will now be                         extended to the treatment of other processes such as bubble                     formation and crystallization.
{'FirstName': 'David', 'LastName': 'Oxtoby', 'PI_MID_INIT': 'W', 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'David W Oxtoby', 'EmailAddress': 'David.Oxtoby@pomona.edu', 'NSF_ID': '000227043', 'StartDate': '04/01/1989', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
{'Name': 'University of Chicago', 'CityName': 'CHICAGO', 'ZipCode': '606375418', 'PhoneNumber': '7737028669', 'StreetAddress': '5801 S ELLIS AVE', 'StreetAddress2': None, 'CountryName': 'United States', 'StateName': 'Illinois', 'StateCode': 'IL', 'CONGRESSDISTRICT': '01', 'CONGRESS_DISTRICT_ORG': 'IL01', 'ORG_UEI_NUM': 'ZUE9HKT2CLC9', 'ORG_LGL_BUS_NAME': 'UNIVERSITY OF CHICAGO', 'ORG_PRNT_UEI_NUM': 'ZUE9HKT2CLC9'}
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{'Code': '1956', 'Text': 'STATISTICAL AND SIMULATIONS'}
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