Studies in the Molecular Thermodynamics of Adsorption       Equilibrium
{'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}
This proposal is concerned with molecular theory of the                         interaction of fluids and fluid mixtures with solid surfaces.                   The focus is on understanding macroscopic behavior in terms of                  the microscopic interactions between the molecules of the fluid                 and the molecules of the solid surface; the role of the                         interactions between the fluid molecules themselves, in the                     presence of the surface, will also be examined.  A program of                   computer simulation using a new method is proposed.  Theoretical                studies will complement the computer simulations employing                      techniques from statistical mechanics.  The approach will be                    extended to adsorbed solutions, to nonspherical molecules, and to               heterogeneous adsorbents.  It is also proposed to look at                       adsorption of nonvolatile solutes from supercritical solvents.                  Research of this type will have a long-term impact on all                       processes involving solid/fluid interfaces, such as separation                  process involving adsorption; the technological impact of such                  work will continue to grow with each future advance in computer                 technology.                                                                                                                                                     This proposal is concerned with the development of the molecular                theory of the adsorption equilibrium of fluids and fluid mixtures               at solid surfaces.  The focus is on understanding macroscopic                   behavior in terms of details of the microscopic interactions                    between the adsorbate molecules and the solid surface, and                      between the adsorbate molecules themselves.  A program of Monte                 Carlo computer simulation using a new isobaric method is                        proposed.  This method has a number of advantages over previous                 approaches, including the ability to study wetting phenomena.                   Applications will include study of wetting phenomena, selective                 adsorption from vapor and liquid mixtures, and adsorption in                    systems with anisotropic intermolecular forces.  Theoretical                    studies will complement the simulations, employing techniques                   from statistical mechanics.  Improvements in the density                        functional theory treatment of the influence of attractive forces               upon the structure of fluid-solid interfaces will also be sought.               The approach will be extended to adsorbed solutions, to                         nonspherical molecules, and to heterogeneous adsorbents.  It is                 also proposed to look at adsorption of nonvolatile solutes from                 supercritical solvents.  Research of this type will have a long-                term impact on all processes involving solid/fluid interfaces,                  such as separation process involving adsorption; the                            technological impact of such work will continue to grow with each               future advance in computer technology.
{'FirstName': 'Peter', 'LastName': 'Monson', 'PI_MID_INIT': 'A', 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Peter A Monson', 'EmailAddress': 'monson@ecs.umass.edu', 'NSF_ID': '000210601', 'StartDate': '12/01/1988', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
{'Name': 'University of Massachusetts Amherst', 'CityName': 'AMHERST', 'ZipCode': '010039252', 'PhoneNumber': '4135450698', 'StreetAddress': '101 COMMONWEALTH AVE', 'StreetAddress2': None, 'CountryName': 'United States', 'StateName': 'Massachusetts', 'StateCode': 'MA', 'CONGRESSDISTRICT': '02', 'CONGRESS_DISTRICT_ORG': 'MA02', 'ORG_UEI_NUM': 'VGJHK59NMPK9', 'ORG_LGL_BUS_NAME': 'UNIVERSITY OF MASSACHUSETTS', 'ORG_PRNT_UEI_NUM': 'VGJHK59NMPK9'}
{'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'}, {'Code': '1417', 'Text': 'Interfacial Engineering Progra'}]
{'url': 'https://www.nsf.gov/awardsearch/download?DownloadFileName=1988&All=true', 'xml': '8814834.xml'}