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Advances in Chemical Physics, Volume 64 by Ilya Prigogine, Stuart A. Rice

By Ilya Prigogine, Stuart A. Rice

The Advances in Chemical Physics sequence offers the chemical physics and actual chemistry fields with a discussion board for serious, authoritative reviews of advances in each zone of the self-discipline. choked with state of the art study mentioned in a cohesive demeanour no longer came across in other places within the literature, each one quantity of the Advances in Chemical Physics sequence serves because the ideal complement to any complicated graduate category dedicated to the examine of chemical physics.

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One now chooses a time-dependent dividing surface in this twodimensional layer of cells such that the radii of curvature are large compared with the bulk correlation length. ' It may be shifted over a distance on the order of a bulk correlation length. Because the definition of excess densities and fluxes depends on this choice, it is of some importance, and we shall return to it below. To describe the time-dependent location of the dividing surface, it is convenient to use a set of time-dependent orthogonal curvilinear coordin a t e ~&(r, : ~ ~t ) , i = I,2 , 3 , where r = (x, y, z ) are the Cartesian coordinates and t the time.

In particular, we are interested in the precise form of the balance equation for the excess density d". 17) leads to the following more detailed formula for the balance of d : The first two terms in this formula describe the balance in the bulk 54 D. 20) where the subscript - indicates the difference of the corresponding quantity in the bulk phases from one side of the surface of discontinuity to the other; thus and similarly for Jd,,,-. We do not follow the more conventional notation, which uses square brackets to indicate this diff e r e n ~ e .

P. Luck, in Water, A Comprehensive Treatise, Vol. 2, F. Franks, Ed,, Plenum, New York, 1973, Ch. 4. 10. S. A. Rice and M. G. Sceats, J. Phys. Chem. 85, 1108 (1981). 11. H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, and J. Hermans, in Intermolecular Forces, B. , ReideI, Hingham, Massachusetts, 1981. 12. K. Toukan and A. Rahman, “A Molecular Dynamics Study of Atomic Motions in Water,” Phys. Rev. B31,2643 (1985). 13. E. Kalman, G. Palinkas, and P. Kovacs, Mol. Phys. 34, 505, 525 (1977).

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