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

Journal Article · Mon Apr 01 00:00:00 EDT 2019 · Chemical Engineering Science

DOI:https://doi.org/10.1016/j.ces.2018.12.036· OSTI ID:1566433

Gu, Geun Ho ^[1]; Wittreich, Gerhard R. ^[1]; Vlachos, Dionisios G. ^[1]

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1. 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 SC Office of Basic Energy Sciences (SC-22)
• DOE Contract Number: SC0001004
• OSTI ID: 1566433
• Journal Information: Chemical Engineering Science, Journal Name: Chemical Engineering Science Journal Issue: C Vol. 197; ISSN 0009-2509
• Publisher: Elsevier
• Country of Publication: United States
• Language: English

Related Subjects

bio-inspired
biofuels (including algae and biomass)
catalysis (heterogeneous)
catalysis (homogeneous)
hydrogen and fuel cells
materials and chemistry by design
synthesis (novel materials)
synthesis (scalable processing)
synthesis (self-assembly)