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- W2022022316 abstract "We present a non-equilibrium molecular dynamics simulation of 125 methane molecules using a variant of the isokinetic “sllod” algorithm. The shear viscosity, pressure and internal energy of methane in a dense, supercritical fluid state (temperature 285.7 K and mass density 0.288 gcm3) are calculated and the viscosity compared with experiment, with excellent agreement: the predicted shear viscosity is within 1% of the experimental value, improving on the result obtained for this same system by Evans (≈10% agreement). We attribute the improvement to the improved non-equilibrium algorithm used. The model for the intermolecular potential is a site-site exponential-6, with only two-body interactions being considered." @default.
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- W2022022316 date "1986-08-01" @default.
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- W2022022316 title "Non-equilibrium molecular dynamics simulation of dense fluid methane" @default.
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- W2022022316 doi "https://doi.org/10.1016/0009-2614(86)80176-2" @default.
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