{"id":{"repo_id":"vt","oai_identifier":"oai:vtechworks.lib.vt.edu:10919/36826"},"canonical_url":"https://search.dev.ndltd.org/etd/vt/oai:vtechworks.lib.vt.edu:10919/36826","repository":{"repo_id":"vt","name":"Virginia Tech","base_url":"https://vtechworks.lib.vt.edu/oai/request"},"display":{"title":"An Interactive Chemical Equilibrium Solver for the Personal Computer","abstract":"The Virginia Tech Equilibrium Chemistry (VTEC) code is a keyboard interactive, user friendly, chemical equilibrium solver for use on a personal computer. The code is particularly suitable for a teaching / learning environment. For a set of reactants at a defined thermodynamic state given by a user, the program will select all species in the JANAF thermochemical database which could exist in the products. The program will then calculate equilibrium composition, flame temperature, and other thermodynamic properties for many common cases. Examples in this thesis show VTEC's ability to predict chemical equilibrium compositions and flame temperature for selected reactions, and demonstrate how VTEC can substitute for and aid in the design of lab experiments, and identify trends in parametric studies. The 1976 NASA Lewis Chemical Equilibrium Code (CEC76) from which VTEC has been adapted uses Lagrangian multipliers to minimize free energy. CEC76 was written for mainframe computer use. Later versions of CEC76, adapted for personal computer use are available for a fee and have a very minimal user interface.","abstract_html":"The Virginia Tech Equilibrium Chemistry (VTEC) code is a keyboard interactive, user friendly, chemical equilibrium solver for use on a personal computer. The code is particularly suitable for a teaching / learning environment. For a set of reactants at a defined thermodynamic state given by a user, the program will select all species in the JANAF thermochemical database which could exist in the products. The program will then calculate equilibrium composition, flame temperature, and other thermodynamic properties for many common cases. Examples in this thesis show VTEC's ability to predict chemical equilibrium compositions and flame temperature for selected reactions, and demonstrate how VTEC can substitute for and aid in the design of lab experiments, and identify trends in parametric studies. The 1976 NASA Lewis Chemical Equilibrium Code (CEC76) from which VTEC has been adapted uses Lagrangian multipliers to minimize free energy. CEC76 was written for mainframe computer use. Later versions of CEC76, adapted for personal computer use are available for a fee and have a very minimal user interface.","abstract_has_math":false,"creators":["Negus, Charles H."],"institution":"Virginia Tech","degree_name":"Master of Science","degree_level":"masters","degree_discipline":"Mechanical Engineering","degree_department":"Mechanical Engineering","school":null,"contributors":[],"advisors":[],"committee_chairs":["Pierce, Felix J."],"committee_members":["Brown, Eugene F.","Dancey, Clinton L."],"year":1997,"date_issued":"1997-02-20","date_published":"1997-02-20","updated_at":"2026-07-22T22:19:24Z","subjects":["free energy minimization","NASA-lewis CEC","chemical equilibrium","fortran","interactive","VTEC"],"languages":[],"rights":["In Copyright"],"rights_urls":["http://rightsstatements.org/vocab/InC/1.0/"],"identifier_entries":[{"key":"dc:identifier.other","label":"Dc Identifier Other","values":["etd-595410211975510"],"render_values":[{"text":"etd-595410211975510","href":null,"code":true}]}]},"links":{"outbound_url":"http://hdl.handle.net/10919/36826","outbound_label":"Handle","outbound_source":"dc:identifier.uri"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor.committeechair","label":"Committee Chair","values":["Pierce, Felix J."]},{"key":"dc:contributor.committeemember","label":"Committee Member","values":["Brown, Eugene F.","Dancey, Clinton L."]},{"key":"dc:contributor.department","label":"Department","values":["Mechanical Engineering"]},{"key":"dc:creator","label":"Author","values":["Negus, Charles H."]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date.accessioned","label":"Dc Date Accessioned","values":["2014-03-14T20:51:55Z"]},{"key":"dc:date.available","label":"Dc Date Available","values":["2014-03-14T20:51:55Z","1997-02-20"]},{"key":"dc:date.issued","label":"Date","values":["1997-02-20"]},{"key":"dc:publisher","label":"Institution","values":["Virginia Tech"]},{"key":"dc:type","label":"Dc Type","values":["Thesis"]},{"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":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["free energy minimization","NASA-lewis CEC","chemical equilibrium","fortran","interactive","VTEC"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"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.other","label":"Dc Identifier Other","values":["etd-595410211975510"]},{"key":"dc:identifier.uri","label":"Identifier URI","values":["http://hdl.handle.net/10919/36826"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description.abstract","label":"Abstract","values":["The Virginia Tech Equilibrium Chemistry (VTEC) code is a keyboard interactive, user friendly, chemical equilibrium solver for use on a personal computer. 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Later versions of CEC76, adapted for personal computer use are available for a fee and have a very minimal user interface."]},{"key":"dc:description.degree","label":"Dc Description Degree","values":["Master of Science"]},{"key":"dc:title","label":"Title","values":["An Interactive Chemical Equilibrium Solver for the Personal Computer"]}]}],"canonical_facts":{"dc:contributor.committeechair":["Pierce, Felix J."],"dc:contributor.committeemember":["Brown, Eugene F.","Dancey, Clinton L."],"dc:contributor.department":["Mechanical Engineering"],"dc:creator":["Negus, Charles H."],"dc:date.accessioned":["2014-03-14T20:51:55Z"],"dc:date.available":["2014-03-14T20:51:55Z","1997-02-20"],"dc:date.issued":["1997-02-20"],"dc:description.abstract":["The Virginia Tech Equilibrium Chemistry (VTEC) code is a keyboard interactive, user friendly, chemical equilibrium solver for use on a personal computer. The code is particularly suitable for a teaching / learning environment. 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