Highly oriented, neutral and cation-free AlPO4 LTA: from a seed crystal monolayer to a molecular sieve membrane
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چکیده
منابع مشابه
A molecular dynamics study of the diffusion of a hydrocarbon in AlPO4-5 molecular sieve
In this paper a computational study of the ethane diffusion in AlPO4-5 molecular sieve by classical molecular dynamics techniques is presented. Calculations were performed at different temperatures and loading of ethane molecules per AlPO4-5 unit cell. Static and dynamics AlPO4-5 framework conditions in the calculations were analyzed. According to the results of the simulations the molecular di...
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Simulation of Alkane Adsorption in the Aluminophosphate Molecular Sieve AlPO4-5
Adsorption isotherms of alkanes ranging from methane through pentane in the microporous aluminophosphate AlPO4-5 are calculated using grand canonical monte carlo simulations. These simulations predict a surprisingly complex behavior. For methane and ethane we find at low temperatures a low-density-high-density transition that resembles capillary condensation. At intermediate temperatures a high...
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ژورنال
عنوان ژورنال: Chemical Communications
سال: 2011
ISSN: 1359-7345,1364-548X
DOI: 10.1039/c1cc00029b