Number of sites-based solver for determining coverages from steady-state mean-field micro-kinetic models.

Vijay, Sudarshan; H Heenen, Hendrik; Singh, Aayush R; Chan, Karen; Voss, Johannes

Vijay, Sudarshan; H Heenen, Hendrik; Singh, Aayush R; Chan, Karen; Voss, Johannes.

Afiliação

Vijay S; CatTheory, Department of Physics, Technical University of Denmark, Kgs. Lyngby, Denmark.
H Heenen H; CatTheory, Department of Physics, Technical University of Denmark, Kgs. Lyngby, Denmark.
Singh AR; Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany.
Chan K; SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory, Menlo Park, California, USA.
Voss J; CatTheory, Department of Physics, Technical University of Denmark, Kgs. Lyngby, Denmark.

J Comput Chem ; 45(9): 546-551, 2024 Apr 05.

Article em En | MEDLINE | ID: mdl-38009447

Palavras-chave

heterogeneous catalysis; micro-kinetic modeling; reaction networks; surface chemistry

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Texto completo: 1 Base de dados: MEDLINE Idioma: En Revista: J Comput Chem Assunto da revista: QUIMICA Ano de publicação: 2024 Tipo de documento: Article País de afiliação: Dinamarca

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