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- W2048942003 abstract "The diffusion of longer <italic>n</italic>-alkanes (<italic>n</italic>-C<sub>8</sub>–<italic>n</italic>-C<sub>16</sub>) in silicalite was studied using molecular dynamics simulations in the temperature range of 300–400 K. A close agreement is found with previous quasi-elastic neutron scattering studies for both calculated diffusion coefficients and activation energies." @default.
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- W2048942003 date "2015-01-01" @default.
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- W2048942003 title "Molecular dynamics simulations of longer n-alkanes in silicalite: state-of-the-art models achieving close agreement with experiment" @default.
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- W2048942003 doi "https://doi.org/10.1039/c4cp04898a" @default.
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