{"id":{"repo_id":"uiuc","oai_identifier":"oai:www.ideals.illinois.edu:2142/77316"},"canonical_url":"https://search.dev.ndltd.org/etd/uiuc/oai:www.ideals.illinois.edu:2142/77316","repository":{"repo_id":"uiuc","name":"University of Illinois - Urbana-Champaign","base_url":"https://www.ideals.illinois.edu/oai-pmh"},"display":{"title":"Close-Coupling and Coupled States Scattering Calculations Applied to Collisions of Methane With Rare Gases","abstract":"Close-coupling and coupled states scattering calculations are applied to helium methane and neon-methane collisions. State-to-state and total differential cross sections calculated in the coupled states approximation are found to be in at least rough qualitative agreement with the close-coupling results, making the coupled states approximation a useful tool for analyzing particular scattering systems. The theoretical cross sections are compared to experimental measurements and are found to agree in part. The close-coupling calculations of helium-methane scattering show that some disagreements which are observed between the measured helium-methane differential cross sections and coupled states calculations cannot be due to the coupled states approximation. The close coupling calculation of neon-methane scattering and the failure of a thorough search for a neon-methane interaction potential which will fit theory fully to experiment show that disagreements which are observed between the measured neon-methane differential cross sections and coupled states calculations can be due neither to the coupled states approximation nor to the interaction potential. Comparison the results of coupled-states calculations which include closed rotational channels to the results of calculations which neglect them show that these closed channels have a slight influence on the calculated cross sections. The neglect of vibrational closed channels is suggested to be a possible source of disagreement between theory and experiment.","abstract_html":"Close-coupling and coupled states scattering calculations are applied to helium methane and neon-methane collisions. State-to-state and total differential cross sections calculated in the coupled states approximation are found to be in at least rough qualitative agreement with the close-coupling results, making the coupled states approximation a useful tool for analyzing particular scattering systems. The theoretical cross sections are compared to experimental measurements and are found to agree in part. The close-coupling calculations of helium-methane scattering show that some disagreements which are observed between the measured helium-methane differential cross sections and coupled states calculations cannot be due to the coupled states approximation. The close coupling calculation of neon-methane scattering and the failure of a thorough search for a neon-methane interaction potential which will fit theory fully to experiment show that disagreements which are observed between the measured neon-methane differential cross sections and coupled states calculations can be due neither to the coupled states approximation nor to the interaction potential. Comparison the results of coupled-states calculations which include closed rotational channels to the results of calculations which neglect them show that these closed channels have a slight influence on the calculated cross sections. The neglect of vibrational closed channels is suggested to be a possible source of disagreement between theory and experiment.","abstract_has_math":false,"creators":["Phillips, Timothy Roger"],"institution":"University of Illinois at Urbana-Champaign","degree_name":"Ph.D.","degree_level":"Dissertation","degree_discipline":"Chemical Engineering","degree_department":null,"school":null,"contributors":["Secrest, Don,"],"advisors":[],"committee_chairs":[],"committee_members":[],"year":2015,"date_issued":"2015-05-13T15:39:29Z","date_published":"2015-05-13T15:39:29Z","updated_at":"2026-07-22T22:26:10Z","subjects":["Chemistry, Physical","Physics, Molecular"],"languages":["eng"],"rights":[],"rights_urls":[],"identifier_entries":[{"key":"dc:identifier","label":"Identifier","values":["(UMI)AAI8815404"],"render_values":[{"text":"(UMI)AAI8815404","href":null,"code":true}]}]},"links":{"outbound_url":"http://hdl.handle.net/2142/77316","outbound_label":"Handle","outbound_source":"dc:identifier"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor","label":"Contributor","values":["Secrest, Don,"]},{"key":"dc:creator","label":"Author","values":["Phillips, Timothy Roger"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date","label":"Dc Date","values":["2015-05-13T15:39:29Z","10000-01-01","1988"]},{"key":"dc:type","label":"Dc Type","values":["text"]},{"key":"thesis:degree_discipline","label":"Discipline","values":["Chemical Engineering"]},{"key":"thesis:degree_level","label":"Degree Level","values":["Dissertation"]},{"key":"thesis:degree_name","label":"Degree Name","values":["Ph.D."]},{"key":"thesis:institution_name","label":"Thesis Institution Name","values":["University of Illinois at Urbana-Champaign"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["Chemistry, Physical","Physics, Molecular"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language","label":"Dc Language","values":["eng"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier","label":"Identifier","values":["http://hdl.handle.net/2142/77316","(UMI)AAI8815404"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description","label":"Description","values":["Close-coupling and coupled states scattering calculations are applied to helium methane and neon-methane collisions. State-to-state and total differential cross sections calculated in the coupled states approximation are found to be in at least rough qualitative agreement with the close-coupling results, making the coupled states approximation a useful tool for analyzing particular scattering systems. The theoretical cross sections are compared to experimental measurements and are found to agree in part. The close-coupling calculations of helium-methane scattering show that some disagreements which are observed between the measured helium-methane differential cross sections and coupled states calculations cannot be due to the coupled states approximation. The close coupling calculation of neon-methane scattering and the failure of a thorough search for a neon-methane interaction potential which will fit theory fully to experiment show that disagreements which are observed between the measured neon-methane differential cross sections and coupled states calculations can be due neither to the coupled states approximation nor to the interaction potential. Comparison the results of coupled-states calculations which include closed rotational channels to the results of calculations which neglect them show that these closed channels have a slight influence on the calculated cross sections. The neglect of vibrational closed channels is suggested to be a possible source of disagreement between theory and experiment.","Made available in DSpace on 2015-05-13T15:39:29Z (GMT). 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State-to-state and total differential cross sections calculated in the coupled states approximation are found to be in at least rough qualitative agreement with the close-coupling results, making the coupled states approximation a useful tool for analyzing particular scattering systems. The theoretical cross sections are compared to experimental measurements and are found to agree in part. The close-coupling calculations of helium-methane scattering show that some disagreements which are observed between the measured helium-methane differential cross sections and coupled states calculations cannot be due to the coupled states approximation. The close coupling calculation of neon-methane scattering and the failure of a thorough search for a neon-methane interaction potential which will fit theory fully to experiment show that disagreements which are observed between the measured neon-methane differential cross sections and coupled states calculations can be due neither to the coupled states approximation nor to the interaction potential. Comparison the results of coupled-states calculations which include closed rotational channels to the results of calculations which neglect them show that these closed channels have a slight influence on the calculated cross sections. The neglect of vibrational closed channels is suggested to be a possible source of disagreement between theory and experiment.","Made available in DSpace on 2015-05-13T15:39:29Z (GMT). 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