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- W2032465306 abstract "Molecular dynamics (MD) methods can accurately predict the diffusion coefficients of hydrocarbons in zeolites; these techniques are used to construct an Arrhenius plot for the diffusion of methane in silicalite and the results agree accurately with experimental data. The success of the work confirms that simulation methods are predictive tools in modelling diffusion in molecular sieves." @default.
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- W2032465306 date "1992-01-01" @default.
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- W2032465306 title "A molecular dynamics simulation of the temperature dependence of the diffusion of methane in silicalite" @default.
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- W2032465306 doi "https://doi.org/10.1039/c39920000879" @default.
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