Incorporating molecular scale structure into the van der Waals theory of the liquid-vapor interface

Details Incorporating molecular scale structure into the van der Waals theory of the liquid-vapor interface Incorporating molecular scale structure into the van der Waals theory of the liquid-vapor interface

2002-06-10

arxiv.org/abs/cond-mat/0206162v1

Physics

Condensed Matter

Statistical Mechanics

9 pages, 5 figures; to be published in Journal of Physical Chemistry

Scientific paper

We have developed a new and general theory of nonuniform fluids that naturally incorporates molecular scale information into the classical van der Waals theory of slowly varying interfaces. Here the theory is applied to the liquid-vapor interface of a Lennard-Jones fluid. The method combines a molecular field treatment of the effects of unbalanced attractive forces with a locally optimal use of linear response theory to approximate fluid structure by that of the associated (hard sphere like) reference fluid. Our approach avoids many of the conceptual problems that arise in the classical theory and shows why capillary wave effects are not included in the theory. The general theory and a simplified version gives results for the interface profile and surface tension for states with different temperatures and potential energy cutoffs that compare very favorably with simulation data.

Affiliated with

Also associated with

No associations

Rating

Incorporating molecular scale structure into the van der Waals theory of the liquid-vapor interface does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Incorporating molecular scale structure into the van der Waals theory of the liquid-vapor interface, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Incorporating molecular scale structure into the van der Waals theory of the liquid-vapor interface will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-517687