Adsorption of n-Alkanes in MFI and MEL: Quasi-Equilibrated Thermodesorption Combined with Molecular Simulations
Author:
Affiliation:
1. Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Kraków, Poland
2. Department of Physical, Chemical and Natural Systems, Universidad Pablo de Olavide, Ctra. Utrera Km. 1, Seville ES-41013, Spain
Funder
European Research Council
Ministerio de Economía y Competitividad
Junta de Andalucía
Publisher
American Chemical Society (ACS)
Subject
Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.6b06957
Reference49 articles.
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2. Weitkamp, K.; Karge, H. G.; Pfeifer, H.; Hölderich, W.InZeolites and Related Microporous Materials: State of the Art 1994, Studies in Surface Science and Catalysis;Elsevier:Amsterdam, Netherlands, 1994; Vol.84, pp1375–1394.
3. United Atom Force Field for Alkanes in Nanoporous Materials
4. DREIDING: a generic force field for molecular simulations
5. UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations
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