{"id":{"repo_id":"ttu","oai_identifier":"oai:ttu-ir.tdl.org:2346/85973"},"canonical_url":"https://search.dev.ndltd.org/etd/ttu/oai:ttu-ir.tdl.org:2346/85973","repository":{"repo_id":"ttu","name":"Texas Technology University","base_url":"https://ttu-ir.tdl.org/server/oai/request"},"display":{"title":"Experimental and DFT study on selective oxidation of 5-Hydroxymethyl furfural over cadmium sulfide catalyst","abstract":"Catalytic conversion of biomass or biomass derived intermediate to value added chemicals is a way to reduce dependency on conventional fossil fuels. Oxidation of 5-hydroximethyl furfural (HMF) is considered one of the most important biomass conversions, which resulted into value added 2,5-diformylfuran (DFF), 2,5-furandicarboxylic acid (FDCA), 5-hydroxymethyl-2-furancarboxylic acid (HMFCA), and 5-formyl-2-furancarboxylic acid (FFCA). Presence of alcohol and aldehyde functional group in 5-hydroxymethyl furfural gives opportunity of various value-added product formation as well as challenge to get selectively towards one desired product. Among the oxidation products of HMF, FFCA is not studied well which is an important intermediate for monomer of biomass derived polymer. Here, nanorod, nanosphere, and nanosheet types CdS are investigated as oxidation catalyst of HMF to give selective yield of FFCA. Experimental results along with DFT study reveals CdS as an excellent catalyst for HMF oxidation. Along with SEM, TEM, XRD analysis of synthesized catalysts the effect of different solvents, different oxidizing agents, different catalysts for HMF oxidation is investigated. CdS catalysts show excellent selectivity towards oxidation of HMF into FFCA in presence of DMSO and TBHP oxidizing agent. Binding energy of HMF on CdS surface is calculated for hexagonal wurtzite and simple cubic crystal structure of CdS catalyst which indicate capability of CdS as a catalyst for HMF oxidation.","abstract_html":"Catalytic conversion of biomass or biomass derived intermediate to value added chemicals is a way to reduce dependency on conventional fossil fuels. Oxidation of 5-hydroximethyl furfural (HMF) is considered one of the most important biomass conversions, which resulted into value added 2,5-diformylfuran (DFF), 2,5-furandicarboxylic acid (FDCA), 5-hydroxymethyl-2-furancarboxylic acid (HMFCA), and 5-formyl-2-furancarboxylic acid (FFCA). Presence of alcohol and aldehyde functional group in 5-hydroxymethyl furfural gives opportunity of various value-added product formation as well as challenge to get selectively towards one desired product. Among the oxidation products of HMF, FFCA is not studied well which is an important intermediate for monomer of biomass derived polymer. Here, nanorod, nanosphere, and nanosheet types CdS are investigated as oxidation catalyst of HMF to give selective yield of FFCA. Experimental results along with DFT study reveals CdS as an excellent catalyst for HMF oxidation. Along with SEM, TEM, XRD analysis of synthesized catalysts the effect of different solvents, different oxidizing agents, different catalysts for HMF oxidation is investigated. CdS catalysts show excellent selectivity towards oxidation of HMF into FFCA in presence of DMSO and TBHP oxidizing agent. Binding energy of HMF on CdS surface is calculated for hexagonal wurtzite and simple cubic crystal structure of CdS catalyst which indicate capability of CdS as a catalyst for HMF oxidation.","abstract_has_math":false,"creators":["Afroz, Khurshida"],"institution":"Texas Tech University","degree_name":"Master of Science in Chemical Engineering","degree_level":"Masters","degree_discipline":"Chemical Engineering","degree_department":null,"school":null,"contributors":[],"advisors":[],"committee_chairs":["Wiesner, Theodore F."],"committee_members":["Nuraje, Nurxat"],"year":2019,"date_issued":"2019-08","date_published":"2019-08","updated_at":"2026-07-24T05:04:54Z","subjects":["Hydroxymethyl furfural","DFT"],"languages":["eng"],"rights":[],"rights_urls":[],"identifier_entries":[]},"links":{"outbound_url":"https://hdl.handle.net/2346/85973","outbound_label":"Handle","outbound_source":"dc:identifier.uri"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor.committeechair","label":"Committee Chair","values":["Wiesner, Theodore F."]},{"key":"dc:contributor.committeemember","label":"Committee Member","values":["Nuraje, Nurxat"]},{"key":"dc:creator","label":"Author","values":["Afroz, Khurshida"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date.accessioned","label":"Dc Date Accessioned","values":["2020-06-23T23:49:14Z"]},{"key":"dc:date.available","label":"Dc Date Available","values":["2020-06-23T23:49:14Z"]},{"key":"dc:date.issued","label":"Date","values":["2019-08"]},{"key":"dc:type","label":"Dc Type","values":["Thesis"]},{"key":"thesis:degree_discipline","label":"Discipline","values":["Chemical Engineering"]},{"key":"thesis:degree_level","label":"Degree Level","values":["Masters"]},{"key":"thesis:degree_name","label":"Degree Name","values":["Master of Science in Chemical Engineering"]},{"key":"thesis:institution_name","label":"Thesis Institution Name","values":["Texas Tech University"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["Hydroxymethyl furfural","DFT"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language.iso","label":"Language (ISO)","values":["eng"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier.uri","label":"Identifier URI","values":["https://hdl.handle.net/2346/85973"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description.abstract","label":"Abstract","values":["Catalytic conversion of biomass or biomass derived intermediate to value added chemicals is a way to reduce dependency on conventional fossil fuels. Oxidation of 5-hydroximethyl furfural (HMF) is considered one of the most important biomass conversions, which resulted into value added 2,5-diformylfuran (DFF), 2,5-furandicarboxylic acid (FDCA), 5-hydroxymethyl-2-furancarboxylic acid (HMFCA), and 5-formyl-2-furancarboxylic acid (FFCA). Presence of alcohol and aldehyde functional group in 5-hydroxymethyl furfural gives opportunity of various value-added product formation as well as challenge to get selectively towards one desired product. Among the oxidation products of HMF, FFCA is not studied well which is an important intermediate for monomer of biomass derived polymer. Here, nanorod, nanosphere, and nanosheet types CdS are investigated as oxidation catalyst of HMF to give selective yield of FFCA. Experimental results along with DFT study reveals CdS as an excellent catalyst for HMF oxidation. Along with SEM, TEM, XRD analysis of synthesized catalysts the effect of different solvents, different oxidizing agents, different catalysts for HMF oxidation is investigated. CdS catalysts show excellent selectivity towards oxidation of HMF into FFCA in presence of DMSO and TBHP oxidizing agent. Binding energy of HMF on CdS surface is calculated for hexagonal wurtzite and simple cubic crystal structure of CdS catalyst which indicate capability of CdS as a catalyst for HMF oxidation."]},{"key":"dc:format.mimetype","label":"Dc Format Mimetype","values":["application/pdf"]},{"key":"dc:title","label":"Title","values":["Experimental and DFT study on selective oxidation of 5-Hydroxymethyl furfural over cadmium sulfide catalyst"]}]}],"canonical_facts":{"dc:contributor.committeechair":["Wiesner, Theodore F."],"dc:contributor.committeemember":["Nuraje, Nurxat"],"dc:creator":["Afroz, Khurshida"],"dc:date.accessioned":["2020-06-23T23:49:14Z"],"dc:date.available":["2020-06-23T23:49:14Z"],"dc:date.issued":["2019-08"],"dc:description.abstract":["Catalytic conversion of biomass or biomass derived intermediate to value added chemicals is a way to reduce dependency on conventional fossil fuels. Oxidation of 5-hydroximethyl furfural (HMF) is considered one of the most important biomass conversions, which resulted into value added 2,5-diformylfuran (DFF), 2,5-furandicarboxylic acid (FDCA), 5-hydroxymethyl-2-furancarboxylic acid (HMFCA), and 5-formyl-2-furancarboxylic acid (FFCA). Presence of alcohol and aldehyde functional group in 5-hydroxymethyl furfural gives opportunity of various value-added product formation as well as challenge to get selectively towards one desired product. Among the oxidation products of HMF, FFCA is not studied well which is an important intermediate for monomer of biomass derived polymer. Here, nanorod, nanosphere, and nanosheet types CdS are investigated as oxidation catalyst of HMF to give selective yield of FFCA. Experimental results along with DFT study reveals CdS as an excellent catalyst for HMF oxidation. Along with SEM, TEM, XRD analysis of synthesized catalysts the effect of different solvents, different oxidizing agents, different catalysts for HMF oxidation is investigated. CdS catalysts show excellent selectivity towards oxidation of HMF into FFCA in presence of DMSO and TBHP oxidizing agent. Binding energy of HMF on CdS surface is calculated for hexagonal wurtzite and simple cubic crystal structure of CdS catalyst which indicate capability of CdS as a catalyst for HMF oxidation."],"dc:format.mimetype":["application/pdf"],"dc:identifier.uri":["https://hdl.handle.net/2346/85973"],"dc:language.iso":["eng"],"dc:subject":["Hydroxymethyl furfural","DFT"],"dc:title":["Experimental and DFT study on selective oxidation of 5-Hydroxymethyl furfural over cadmium sulfide catalyst"],"dc:type":["Thesis"],"thesis:degree_discipline":["Chemical Engineering"],"thesis:degree_level":["Masters"],"thesis:degree_name":["Master of Science in Chemical Engineering"],"thesis:institution_name":["Texas Tech University"]},"updated_at":"2026-07-24T05:04:54Z"}