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An experimental and theoretical study of glycerol oxidation to 1,3-dihydroxyacetone over bimetallic Pt-Bi catalysts
AIChE Journal (2016)
  • Yang Xiao, Purdue University
  • Jeff Greeley, Purdue University
  • Guomin Xiao, Southeast University, China
  • Zhi-Jian Zhao, Tianjin University
  • Arvind Varma, Purdue University
Abstract
It is important to utilize glycerol, the main by-product of biodiesel, to manufacture value-added chemicals such as 1,3-dihydroxyacetone (DHA). In the present work, the performance of five different catalysts (Pt-Bi/AC, Pt-Bi/ZSM-5, Pt/MCM-41, Pt-Bi/MCM-41, and Pt/Bi-doped-MCM-41) was investigated experimentally, where Pt-Bi/MCM-41 was found to exhibit the highest DHA yield. To better understand the experimental results and to obtain insight into the reaction mechanism, density functional theory (DFT) computations were conducted to provide energy barriers of elementary steps. Both experimental and calculated results show that for high DHA selectivity, Bi should be located in an adatom-like configuration Pt, rather than inside Pt. A favorable pathway and catalytic cycle of DHA formation were proposed based on the DFT results. A cooperative effect, between Pt as the primary component and Bi as a promoter, was identified for DHA formation. Both experimental and theoretical considerations demonstrate that Pt-Bi is efficient to convert glycerol to DHA selectively
Keywords
  • DFT,
  • Glycerol selective oxidation,
  • Pt-Bi bimetalic catalyst
Publication Date
Summer July 25, 2016
DOI
10.1002/aic.15418
Citation Information
Yang Xiao, Jeff Greeley, Guomin Xiao, Zhi-Jian Zhao, et al.. "An experimental and theoretical study of glycerol oxidation to 1,3-dihydroxyacetone over bimetallic Pt-Bi catalysts" AIChE Journal Vol. 63 (2016) p. 705 - 715 ISSN: 1547-5905
Available at: http://works.bepress.com/yang-xiao/5/