@inbook{eef38df18fb0427abdd42dea5ea01ede,
title = "Optimization Methods for Catalyst Design",
abstract = "We describe a microkinetic-based optimization model for a steady-state continuously stirred tank reactor that can be used to globally optimize the energetic properties of a catalyst (binding energies and activation energies) to maximize the catalytic activity for a specific reaction. The utility of this approach is demonstrated using CO oxidation as a case study. The proposed formulation allows for rapid optimization at different reaction conditions and is also applicable for reactions with many independent variables.",
keywords = "Microkinetic modeling, global optimization, heterogeneous catalysis",
author = "Herron, {Jeffrey A.} and Manos Mavrikakis and Maravelias, {Christos T.}",
note = "Publisher Copyright: {\textcopyright} 2016 Elsevier B.V.",
year = "2016",
doi = "10.1016/B978-0-444-63428-3.50054-0",
language = "English (US)",
isbn = "9780444634283",
series = "Computer Aided Chemical Engineering",
publisher = "Elsevier B.V.",
pages = "295--300",
editor = "Zdravko Kravanja and Milos Bogataj",
booktitle = "26 European Symposium on Computer Aided Process Engineering, 2016",
}