Microkinetic modeling of aqueous phase biomass conversion: Application to ethylene glycol reforming
Journal Article
·
· Chemical Engineering Science
- Univ. of Delaware, Newark, DE (United States). Department of Chemical and Biomolecular Engineering, Catalysis Center for Energy Innovation
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 Brønsted-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 H2 and avoids poisoning of the catalyst by CO. The model is found to be in reasonable agreement with the experimental data.
- Research Organization:
- Energy Frontier Research Centers (EFRC) (United States). Catalysis Center for Energy Innovation (CCEI); Univ. of Delaware, Newark, DE (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- DOE Contract Number:
- SC0001004
- OSTI ID:
- 1566433
- Journal Information:
- Chemical Engineering Science, Vol. 197, Issue C; ISSN 0009-2509
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
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