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Title: Site-averaged kinetics for catalysts on amorphous supports: an importance learning algorithm

Abstract

We combine importance sampling and kernel regression techniques to efficiently predict site-averaged kinetics for isolated catalyst sites on amorphous supports.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3]
  1. Department of Chemical Engineering, University of California, Santa Barbara, USA
  2. Department of Chemical Engineering, University of California, Santa Barbara, USA, Department of Chemistry
  3. Department of Chemical and Biomolecular Engineering, University of Illinois at Urbana-Champaign, Urbana, USA, Department of Chemistry
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1577873
Grant/Contract Number:  
SC0019488; FG02-03ER15467
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Reaction Chemistry & Engineering
Additional Journal Information:
Journal Name: Reaction Chemistry & Engineering Journal Volume: 5 Journal Issue: 1; Journal ID: ISSN 2058-9883
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Vandervelden, Craig A., Khan, Salman A., Scott, Susannah L., and Peters, Baron. Site-averaged kinetics for catalysts on amorphous supports: an importance learning algorithm. United Kingdom: N. p., 2020. Web. doi:10.1039/C9RE00356H.
Vandervelden, Craig A., Khan, Salman A., Scott, Susannah L., & Peters, Baron. Site-averaged kinetics for catalysts on amorphous supports: an importance learning algorithm. United Kingdom. doi:10.1039/C9RE00356H.
Vandervelden, Craig A., Khan, Salman A., Scott, Susannah L., and Peters, Baron. Wed . "Site-averaged kinetics for catalysts on amorphous supports: an importance learning algorithm". United Kingdom. doi:10.1039/C9RE00356H.
@article{osti_1577873,
title = {Site-averaged kinetics for catalysts on amorphous supports: an importance learning algorithm},
author = {Vandervelden, Craig A. and Khan, Salman A. and Scott, Susannah L. and Peters, Baron},
abstractNote = {We combine importance sampling and kernel regression techniques to efficiently predict site-averaged kinetics for isolated catalyst sites on amorphous supports.},
doi = {10.1039/C9RE00356H},
journal = {Reaction Chemistry & Engineering},
number = 1,
volume = 5,
place = {United Kingdom},
year = {2020},
month = {1}
}

Journal Article:
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