Experimental and DFT study on selective oxidation of 5-Hydroxymethyl furfural over cadmium sulfide catalyst

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.

Name thesis:degree_name

Master of Science in Chemical Engineering

Level thesis:degree_level

Masters

Discipline thesis:degree_discipline

Chemical Engineering

Grantor

Texas Tech University

Year dc:date.issued

2019

Author dc:creator

• Afroz, Khurshida

Chair dc:contributor.committeechair

• Wiesner, Theodore F.

Committee member dc:contributor.committeemember

• Nuraje, Nurxat

• Hydroxymethyl furfural
• DFT

Language dc:language.iso

eng

Handle dc:identifier.uri

https://hdl.handle.net/2346/85973

OAI identifier oai:identifier

oai:ttu-ir.tdl.org:2346/85973