Miyazaki, Kunimasa and Bagchi, Biman and Schepper, de IM (2001) The extended Enskog operator for simple fluids with continuous potentials: single particle and collective properties. In: Physica A: Statistical Mechanics and its Applications, 298 (1-2). pp. 101-120.
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We generalized the Enskog theory originally developed for the hard-sphere fluid to fluids with continuous potentials, such as the Lennard–Jones. We derived the expression for the k and ω dependent transport coefficient matrix which enables us to calculate the transport coefficients for arbitrary length and time scales. Our results reduce to the conventional Chapman–Enskog expression in the low density limit and to the conventional k dependent Enskog theory in the hard-sphere limit. As examples, the self-diffusion of a single atom, the vibrational energy relaxation, and the activated barrier crossing dynamics problem are discussed.
|Item Type:||Journal Article|
|Additional Information:||Copyright of this article belongs to Elsevier Science.|
|Keywords:||Kinetic theory;Continuous potential;Enskog theory.|
|Department/Centre:||Division of Chemical Sciences > Solid State & Structural Chemistry Unit|
|Date Deposited:||10 Nov 2011 04:29|
|Last Modified:||10 Nov 2011 04:29|
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