Industry/University Collaboration: Transport Properties of  Molecular Fluids and Mixtures
{'Code': '07020000', 'Directorate': {'Abbreviation': 'ENG', 'LongName': 'Directorate For Engineering'}, 'Division': {'Abbreviation': 'CBET', 'LongName': 'Div Of Chem, Bioeng, Env, & Transp Sys'}}
{'SignBlockName': 'Jeffrey Foltz', 'PO_EMAI': 'jfoltz@nsf.gov', 'PO_PHON': '7032924231'}
The major thrust of this project is to predict and understand the               transport properties (shear viscosity, thermal conductivity and                 diffusivities) of several representative classes of simple fluids,              liquid metals and molecular fluids and mixtures in terms of the                 microscopic forces between molecules.  The project includes a critical          evaluation of several semi-empirical and theoretical methods currently          used to predict transport properties in condensed systems.  Recently            developed non-equilibrium molecular dynamics simulation techniques are          employed to calculate the transport properties.  The project is an              Industry/University Collaborative Research Program between the                  research and development department of ICI Americas, Inc. located in            Hopewell, Virginia, and the University of Virginia.  ICI Americas will          periodically review the progress of the principal investigator and              suggest for study phenomena and systems of generic interest in the              polymer processing industry.                                                                                                                                    The prediction and understanding of the thermodynamic properties of             molecular fluids and mixtures has received considerable attention in            recent years through the application of modern statistical mechanics            techniques.  By contrast, there has been relatively little research             performed to predict and understand the fundamental basis for non-              equilibrium transport properties (viscosity, diffusivities and thermal          conductivity) in pure  fluids and mixtures.  Consequently, the                  proposed research is novel in its focus and in the breadth of the               systems which will be examined.  A significant part of the reason for           the relatively small effort in understanding transport properties of            molecular fluids has been the absence (until the last five years) of            rigorously justified computationally efficient simulation techniques.           Thus, the innovative aspect of the proposed research is that                    algorithms developed and published only very recently in the physics            research literature will be applied to the problem of predicting and            understanding transport properties of industrially important fluids, a          problem of enduring interest and practical utility to the chemical              processing industry.
{'FirstName': 'Peter', 'LastName': 'Cummings', 'PI_MID_INIT': 'T', 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Peter T Cummings', 'EmailAddress': 'peter.cummings@vanderbilt.edu', 'NSF_ID': '000168473', 'StartDate': '07/01/1988', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
{'Name': 'University of Virginia Main Campus', 'CityName': 'CHARLOTTESVILLE', 'ZipCode': '229034833', 'PhoneNumber': '4349244270', 'StreetAddress': '1001 EMMET ST N', 'StreetAddress2': None, 'CountryName': 'United States', 'StateName': 'Virginia', 'StateCode': 'VA', 'CONGRESSDISTRICT': '05', 'CONGRESS_DISTRICT_ORG': 'VA05', 'ORG_UEI_NUM': 'JJG6HU8PA4S5', 'ORG_LGL_BUS_NAME': 'RECTOR & VISITORS OF THE UNIVERSITY OF VIRGINIA', 'ORG_PRNT_UEI_NUM': None}
{'Name': None, 'CityName': None, 'StateCode': None, 'ZipCode': None, 'StreetAddress': None, 'CountryCode': None, 'CountryName': None, 'StateName': None, 'CountryFlag': None, 'CONGRESSDISTRICT': None, 'CONGRESS_DISTRICT_PERF': '""'}
{'Code': '1414', 'Text': 'INTERFAC PROCESSES & THERMODYN'}
{'url': 'https://www.nsf.gov/awardsearch/download?DownloadFileName=1988&All=true', 'xml': '8801213.xml'}