Microkinetic modeling of aqueous phase biomass conversion:Application to ethylene glycol reforming

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In this communication, we develop automatically a reaction network for ethylene glycol reforming on Pt. We employ a recently introduced group additivity scheme for estimation of thermochemistry over metal catalysts in vapor phase and in solution along with Bronsted-Evans-Polanyi (BEP) relations for vapor phase kinetics to parameterize microkinetic models for vapor and aqueous phases. Unlike vapor-phase reforming, we show that solvent occupies a significant fraction of surface sites and by doing this, it shifts the water-gas shift reaction to CO2 and H-2 and avoids poisoning of the catalyst by CO. The model is found to be in reasonable agreement with the experimental data. (C) 2019 Elsevier Ltd. All rights reserved.
Publisher
PERGAMON-ELSEVIER SCIENCE LTD
Issue Date
2019-04
Language
English
Article Type
Article
Citation

CHEMICAL ENGINEERING SCIENCE, v.197, pp.415 - 418

ISSN
0009-2509
DOI
10.1016/j.ces.2018.12.036
URI
http://hdl.handle.net/10203/250456
Appears in Collection
RIMS Journal Papers
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