Building large microkinetic models with first-principles' accuracy at reduced computational cost

Sutton, J. E.; Vlachos, D. G.

doi:10.1016/j.ces.2014.09.011

Title: Building large microkinetic models with first-principles' accuracy at reduced computational cost

Journal Article · Thu Jan 01 00:00:00 EST 2015 · Chem. Eng. Sci.

DOI:https://doi.org/10.1016/j.ces.2014.09.011· OSTI ID:1210275

Sutton, J. E.; Vlachos, D. G.

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Catalysis Center for Energy Innovation (CCEI)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

DOE Contract Number:: SC0001004

OSTI ID:: 1210275

Journal Information:: Chem. Eng. Sci., Vol. 121; Related Information: CCEI partners with the University of Delaware (lead); Brookhaven National Laboratory; California Institute of Technology; Columbia University; University of Delaware; Lehigh University; University of Massachusetts, Amherst; Massachusetts Institute of Technology; University of Minnesota; Pacific Northwest National Laboratory; University of Pennsylvania; Princeton University; Rutgers University

Country of Publication:: United States

Language:: English

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