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Title: Ring-Opening Reaction of Furfural and Tetrahydrofurfuryl Alcohol on Hydrogen-Predosed Iridium(1 1 1) and Cobalt/Iridium(1 1 1) Surfaces

Authors:
 [1];  [2];  [2];  [2];  [1]
  1. Department of Chemical Engineering, Columbia University, 500 W. 120th St. New York NY 10027 USA, Catalysis Center for Energy Innovation (CCEI), University of Delaware, 221 Academy St. Newark DE 19716 USA
  2. Catalysis Center for Energy Innovation (CCEI), University of Delaware, 221 Academy St. Newark DE 19716 USA
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1401748
Grant/Contract Number:
SC0001004; AC02-05CH11231
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
ChemCatChem
Additional Journal Information:
Journal Volume: 9; Journal Issue: 9; Related Information: CHORUS Timestamp: 2017-10-20 17:53:51; Journal ID: ISSN 1867-3880
Publisher:
Wiley Blackwell (John Wiley & Sons)
Country of Publication:
Germany
Language:
English

Citation Formats

Wan, Weiming, Jenness, Glen R., Xiong, Ke, Vlachos, Dionisios G., and Chen, Jingguang G.. Ring-Opening Reaction of Furfural and Tetrahydrofurfuryl Alcohol on Hydrogen-Predosed Iridium(1 1 1) and Cobalt/Iridium(1 1 1) Surfaces. Germany: N. p., 2017. Web. doi:10.1002/cctc.201601646.
Wan, Weiming, Jenness, Glen R., Xiong, Ke, Vlachos, Dionisios G., & Chen, Jingguang G.. Ring-Opening Reaction of Furfural and Tetrahydrofurfuryl Alcohol on Hydrogen-Predosed Iridium(1 1 1) and Cobalt/Iridium(1 1 1) Surfaces. Germany. doi:10.1002/cctc.201601646.
Wan, Weiming, Jenness, Glen R., Xiong, Ke, Vlachos, Dionisios G., and Chen, Jingguang G.. Thu . "Ring-Opening Reaction of Furfural and Tetrahydrofurfuryl Alcohol on Hydrogen-Predosed Iridium(1 1 1) and Cobalt/Iridium(1 1 1) Surfaces". Germany. doi:10.1002/cctc.201601646.
@article{osti_1401748,
title = {Ring-Opening Reaction of Furfural and Tetrahydrofurfuryl Alcohol on Hydrogen-Predosed Iridium(1 1 1) and Cobalt/Iridium(1 1 1) Surfaces},
author = {Wan, Weiming and Jenness, Glen R. and Xiong, Ke and Vlachos, Dionisios G. and Chen, Jingguang G.},
abstractNote = {},
doi = {10.1002/cctc.201601646},
journal = {ChemCatChem},
number = 9,
volume = 9,
place = {Germany},
year = {Thu Mar 23 00:00:00 EDT 2017},
month = {Thu Mar 23 00:00:00 EDT 2017}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1002/cctc.201601646

Citation Metrics:
Cited by: 2works
Citation information provided by
Web of Science

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  • Hydrodeoxygenation (HDO) is an important reaction for converting biomass-derived furfural to value-added 2-methylfuran, which is a promising fuel additive. In this work, the HDO of furfural to produce 2-methylfuran occurred on the NiCu bimetallic surfaces prepared on either Ni(111) or Cu(111). The reaction pathways of furfural were investigated on Cu(111) and Ni/Cu(111) surfaces using density functional theory (DFT) calculations, temperature programmed desorption (TPD) and high resolution electron energy loss spectroscopy (HREELS) experiments. These studies provided mechanistic insights into the effects of bimetallic formation on enhancing the HDO activity. Specifically, furfural weakly adsorbed on Cu(111), while it strongly adsorbed on Ni/Cu(111)more » through an η 2(C,O) configuration which led to the HDO of furfural on Ni/Cu(111). Lastly, the ability to dissociate H 2 on Ni/Cu(111) is also an important factor for enhancing the HDO activity over Cu(111).« less
  • Cited by 8
  • The hydrogenation, isomerization, and hydrogenolysis of cyclopropane, methylcyclopropane, and propylene have been investigated on the (111) and (110)-(1{times}2) single-crystalline surfaces of iridium at reactant partial pressures from 0.4 to 10 Torr of hydrocarbon (P{sub HC}) and between 20 and 500 Torr of hydrogen (P{sub H{sub 2}}) and at surface temperatures from 375 to 700 K. Both the kinetics of the reaction (activation energies and preexponential factors) and the dependencies of the rates of reaction on the reactant partial pressures (apparent reaction orders) were examined in detail. Postreaction surface analysis revealed the presence of a carbonaceous residue, the coverage of whichmore » was found to vary with the reaction conditions. The reaction of cyclopropane and hydrogen resulted in both hydrogenation to propane and the hydrogenolysis to methane and ethane, with the hydrogenation channel dominating for temperatures below 500 K. The Ir(110)-(1{times}2) was greater by a factor between approximately 2 and 10. The hydrogenation of methylcyclopropane on both the Ir(111) and Ir(110)-(1{times}2) surfaces was found to be dominated by the production of n-butane. This result was interpreted qualitatively by invoking parallel reaction mechanisms for the production of n-butane and isobutane, with the n-butane channel exhibiting a higher apparent activation energy, thus, dominating at the higher temperatures. The hydrogenolysis of methylcyclopropane was found to be similar to that of cyclopropane on both surfaces. However, a selectivity difference was observed between the two surfaces for hydrogenolysis, the product distributions for the major reaction channels were CH{sub 4} + C{sub 3}H{sub 8} on Ir(111) and CH{sub 4} + C{sub 2}H{sub 6} + C{sub 3}H{sub 8} on Ir(110)-(1{times}2).« less