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- W1994037308 abstract "A molecular model of self-diffusion in an atomic fluid is developed and tested against hard sphere simulation results. The model is based on a variation of Kirkwood’s theory of friction and a theory of binary encounters of Sceats. The model uses characteristics of the potential of mean force to characterize the deviation of D from Enskog theory DE as the density increases. At intermediate density D/DE exceeds unity because of the reduction of flux of binary encounters caused by third body collisions and at high density this effect is overwhelmed by the enhancement of the zero frequency value of the force power spectrum due to three center force correlations. Fluctuations in local structure are important at densities where caging becomes important." @default.
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- W1994037308 date "1988-06-15" @default.
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- W1994037308 title "Self‐diffusion in fluids: A molecular model" @default.
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- W1994037308 doi "https://doi.org/10.1063/1.454294" @default.
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