Developing Selective Conversion of Oxygenates through a Combined Experimental and Computational Approach

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dc.contributor.advisorWang, Bin
dc.contributor.authorbababrik, Mohammed Reda
dc.contributor.committeeMemberJivtesh, Garg
dc.contributor.committeeMemberCrossley, Steven
dc.contributor.committeeMemberHuang, Paul
dc.contributor.committeeMemberResasco, Daniel
dc.date.accessioned2019-12-16T17:32:31Z
dc.date.available2019-12-16T17:32:31Z
dc.date.issued2019-12
dc.date.manuscript2019-12
dc.description.abstractHydrogenation and hydrogenolysis reaction and solvent effect on catalytic reactions have been carried out traditionally in batch reactors under high temperature , and pressure conditions in the presence of hydrogen gas fed into the reactor from an external source. Recently, electrochemical hydrogenation and hydrogenolysis has attracted a lot of attention since reactions can be carried in mild conditions (room temperature and ambient pressure) in the presence of water as an external hydrogen source. Electrocatalysis can be combined with renewable energy resources (i.e.e.g. biomass and solar cells) to yield a sustainable path to producing valuable chemicals that can be used as solvents and/or biofuel from biomass feedstock. An additional advantage of electrocatalysis is the added degree of freedom (i.e. electrode potential) that can be controlled to tune reaction pathways. This thesis highlights the role of solvents and charge transfer in accelerating the rate of hydrogenation of oxygenates and improves selectivity in both thermal- and electro-catalytic reactions through a combination of experimental and computational techniques (DFT).en_US
dc.identifier.urihttps://hdl.handle.net/11244/323240
dc.languageen_USen_US
dc.rightsAttribution-NonCommercial 4.0 International*
dc.rights.urihttp://creativecommons.org/licenses/by-nc/4.0/*
dc.subjectCatalysisen_US
dc.subjectDFTen_US
dc.subjectElectrocatalysisen_US
dc.thesis.degreePh.D.en_US
dc.titleDeveloping Selective Conversion of Oxygenates through a Combined Experimental and Computational Approachen_US
ou.groupGallogly College of Engineering::School of Chemical, Biological and Materials Engineeringen_US
shareok.orcid0000-0002-1076-0412en_US

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