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Quantifying Pore Width Effects on Diffusivity via a Novel 3D Stochastic Approach with Input from Atomistic Molecular Dynamics Simulations.
Apostolopoulou, Maria; Santos, Mirella S; Hamza, Muhammad; Bui, Tai; Economou, Ioannis G; Stamatakis, Michail; Striolo, Alberto.
Afiliação
  • Apostolopoulou M; Department of Chemical Engineering , University College London , Torrington Place , London WC1E 7JE , United Kingdom.
  • Santos MS; Chemical Engineering Program , Texas A&M University at Qatar , P.O. Box 23874, Doha , Qatar.
  • Hamza M; Chemical Engineering Program , Texas A&M University at Qatar , P.O. Box 23874, Doha , Qatar.
  • Bui T; Department of Chemical Engineering , University College London , Torrington Place , London WC1E 7JE , United Kingdom.
  • Economou IG; Chemical Engineering Program , Texas A&M University at Qatar , P.O. Box 23874, Doha , Qatar.
  • Stamatakis M; Department of Chemical Engineering , University College London , Torrington Place , London WC1E 7JE , United Kingdom.
  • Striolo A; Department of Chemical Engineering , University College London , Torrington Place , London WC1E 7JE , United Kingdom.
J Chem Theory Comput ; 15(12): 6907-6922, 2019 Dec 10.
Article em En | MEDLINE | ID: mdl-31603675
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2019 Tipo de documento: Article
Texto completo
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2019 Tipo de documento: Article