Theory of cross-diffusivity in a binary fluid mixture

Ali, Sk. Musharaf ; Samanta, Alok ; Ghosh, Swapan K. (2002) Theory of cross-diffusivity in a binary fluid mixture Chemical Physics, 276 (3). pp. 301-308. ISSN 0301-0104

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A microscopic approach for the cross-diffusivity in a binary fluid mixture has been developed using the theoretical frameworks of density functional theory (DFT) as well as mode coupling theory (MCT). In MCT, we have identified a particular mode selection which leads to an expression for the cross-diffusivity identical to that obtained from the DFT. An alternative choice based on analogous physical considerations though leads to a different expression, on numerical evaluation shows that the calculated results are close to the predictions from DFT. Both the theories are applied to a Lennard-Jones fluid mixture and the calculated cross-diffusivities are found to be in good agreement with the available computer simulation results.

Item Type:Article
Source:Copyright of this article belongs to Elsevier Science.
ID Code:11186
Deposited On:09 Nov 2010 03:51
Last Modified:02 Jun 2011 09:51

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