Molecular Simulation of Adsorption in Microporous Materials
نویسندگان
چکیده
منابع مشابه
Softening upon Adsorption in Microporous Materials: A Counterintuitive Mechanical Response.
We demonstrate here that microporous materials can exhibit softening upon adsorption of guest molecules, at low to intermediate pore loading, in parallel to the pore shrinking that is well-known in this regime. This novel and counterintuitive mechanical response was observed through molecular simulations of both model pore systems (such as slit pore) and real metal-organic frameworks. It is con...
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ژورنال
عنوان ژورنال: Oil & Gas Science and Technology – Revue d’IFP Energies nouvelles
سال: 2013
ISSN: 1294-4475,1953-8189
DOI: 10.2516/ogst/2013134