Non-equilibrium molecular dynamics simul
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A.D. Simmsons; P.T. Cummings
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Article
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1986
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Elsevier Science
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English
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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 g/cm3) are calculate