{"id":{"repo_id":"vt","oai_identifier":"oai:vtechworks.lib.vt.edu:10919/74617"},"canonical_url":"https://search.dev.ndltd.org/etd/vt/oai:vtechworks.lib.vt.edu:10919/74617","repository":{"repo_id":"vt","name":"Virginia Tech","base_url":"https://vtechworks.lib.vt.edu/oai/request"},"display":{"title":"Intermolecular potential combining rules utilizing corresponding states correlations for pure substances having nonspherical molecules","abstract":"Second virial coefficient data for many pure substances with both spherical and nonspherical molecules are used to determine the characteristic parameters of two different three-parameter potential functions. Parameters for the rectangular well potential function and a new function, called the r⁻⁶ potential, are calculated from the data by means of a nonlinear, least squares curve fitting technique. Correlations are given for the potential parameters of each substance in terms of its critical temperature, critical volume, and acentric factor. The accuracy of these correlations is near to that of the Pitzer and Curl equations. The three-parameter correlations for pure substances are used in a new set of combining rules for calculating interaction potential parameters of mixtures, The new combining rules obtained represent empirical correlations of potential parameters calculated from interaction second virial coefficient data for mixtures. The potential parameters calculated from the new rules are compared with those obtained from the data as well as those calculated from other combining rules now being used. The combining rules presented in this work give much improved results for mixtures involving substances with nonspherical molecules.","abstract_html":"Second virial coefficient data for many pure substances with both spherical and nonspherical molecules are used to determine the characteristic parameters of two different three-parameter potential functions. Parameters for the rectangular well potential function and a new function, called the r⁻⁶ potential, are calculated from the data by means of a nonlinear, least squares curve fitting technique. Correlations are given for the potential parameters of each substance in terms of its critical temperature, critical volume, and acentric factor. The accuracy of these correlations is near to that of the Pitzer and Curl equations. The three-parameter correlations for pure substances are used in a new set of combining rules for calculating interaction potential parameters of mixtures, The new combining rules obtained represent empirical correlations of potential parameters calculated from interaction second virial coefficient data for mixtures. The potential parameters calculated from the new rules are compared with those obtained from the data as well as those calculated from other combining rules now being used. The combining rules presented in this work give much improved results for mixtures involving substances with nonspherical molecules.","abstract_has_math":false,"creators":["Chrisman, David C."],"institution":"Virginia Polytechnic Institute and State University","degree_name":"Master of Science","degree_level":"masters","degree_discipline":"Mechanical Engineering","degree_department":"Mechanical Engineering","school":null,"contributors":[],"advisors":[],"committee_chairs":[],"committee_members":[],"year":1971,"date_issued":"1971","date_published":"1971","updated_at":"2026-07-22T22:19:10Z","subjects":[],"languages":["en"],"rights":["In Copyright"],"rights_urls":["http://rightsstatements.org/vocab/InC/1.0/"],"identifier_entries":[]},"links":{"outbound_url":"http://hdl.handle.net/10919/74617","outbound_label":"Handle","outbound_source":"dc:identifier.uri"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor.department","label":"Department","values":["Mechanical Engineering"]},{"key":"dc:creator","label":"Author","values":["Chrisman, David C."]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date.accessioned","label":"Dc Date Accessioned","values":["2017-01-30T21:03:29Z"]},{"key":"dc:date.available","label":"Dc Date Available","values":["2017-01-30T21:03:29Z"]},{"key":"dc:date.issued","label":"Date","values":["1971"]},{"key":"dc:publisher","label":"Institution","values":["Virginia Polytechnic Institute and State University"]},{"key":"dc:type","label":"Dc Type","values":["Thesis"]},{"key":"dc:type.dcmitype","label":"Dc Type Dcmitype","values":["Text"]},{"key":"thesis:degree_discipline","label":"Discipline","values":["Mechanical Engineering"]},{"key":"thesis:degree_level","label":"Degree Level","values":["masters"]},{"key":"thesis:degree_name","label":"Degree Name","values":["Master of Science"]},{"key":"thesis:institution_name","label":"Thesis Institution Name","values":["Virginia Polytechnic Institute and State University"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language.iso","label":"Language (ISO)","values":["en"]},{"key":"dc:rights","label":"Dc Rights","values":["In Copyright"]},{"key":"dc:rights.uri","label":"Rights URI","values":["http://rightsstatements.org/vocab/InC/1.0/"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier.uri","label":"Identifier URI","values":["http://hdl.handle.net/10919/74617"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description.abstract","label":"Abstract","values":["Second virial coefficient data for many pure substances with both spherical and nonspherical molecules are used to determine the characteristic parameters of two different three-parameter potential functions. Parameters for the rectangular well potential function and a new function, called the r⁻⁶ potential, are calculated from the data by means of a nonlinear, least squares curve fitting technique. Correlations are given for the potential parameters of each substance in terms of its critical temperature, critical volume, and acentric factor. The accuracy of these correlations is near to that of the Pitzer and Curl equations. The three-parameter correlations for pure substances are used in a new set of combining rules for calculating interaction potential parameters of mixtures, The new combining rules obtained represent empirical correlations of potential parameters calculated from interaction second virial coefficient data for mixtures. The potential parameters calculated from the new rules are compared with those obtained from the data as well as those calculated from other combining rules now being used. The combining rules presented in this work give much improved results for mixtures involving substances with nonspherical molecules."]},{"key":"dc:description.degree","label":"Dc Description Degree","values":["Master of Science"]},{"key":"dc:format.mimetype","label":"Dc Format Mimetype","values":["application/pdf"]},{"key":"dc:title","label":"Title","values":["Intermolecular potential combining rules utilizing corresponding states correlations for pure substances having nonspherical molecules"]}]}],"canonical_facts":{"dc:contributor.department":["Mechanical Engineering"],"dc:creator":["Chrisman, David C."],"dc:date.accessioned":["2017-01-30T21:03:29Z"],"dc:date.available":["2017-01-30T21:03:29Z"],"dc:date.issued":["1971"],"dc:description.abstract":["Second virial coefficient data for many pure substances with both spherical and nonspherical molecules are used to determine the characteristic parameters of two different three-parameter potential functions. Parameters for the rectangular well potential function and a new function, called the r⁻⁶ potential, are calculated from the data by means of a nonlinear, least squares curve fitting technique. Correlations are given for the potential parameters of each substance in terms of its critical temperature, critical volume, and acentric factor. The accuracy of these correlations is near to that of the Pitzer and Curl equations. The three-parameter correlations for pure substances are used in a new set of combining rules for calculating interaction potential parameters of mixtures, The new combining rules obtained represent empirical correlations of potential parameters calculated from interaction second virial coefficient data for mixtures. The potential parameters calculated from the new rules are compared with those obtained from the data as well as those calculated from other combining rules now being used. The combining rules presented in this work give much improved results for mixtures involving substances with nonspherical molecules."],"dc:description.degree":["Master of Science"],"dc:format.mimetype":["application/pdf"],"dc:identifier.uri":["http://hdl.handle.net/10919/74617"],"dc:language.iso":["en"],"dc:publisher":["Virginia Polytechnic Institute and State University"],"dc:rights":["In Copyright"],"dc:rights.uri":["http://rightsstatements.org/vocab/InC/1.0/"],"dc:title":["Intermolecular potential combining rules utilizing corresponding states correlations for pure substances having nonspherical molecules"],"dc:type":["Thesis"],"dc:type.dcmitype":["Text"],"thesis:degree_discipline":["Mechanical Engineering"],"thesis:degree_level":["masters"],"thesis:degree_name":["Master of Science"],"thesis:institution_name":["Virginia Polytechnic Institute and State University"]},"updated_at":"2026-07-22T22:19:10Z"}