Wittmann R, Mecke K (2014)
Publication Status: Published
Publication Type: Journal article
Publication year: 2014
Publisher: AMER INST PHYSICS
Book Volume: 140
Journal Issue: 10
DOI: 10.1063/1.4867277
A fluid constituted of hard spherocylinders is studied using a density functional theory for nonspherical hard particles, which can be written as a function of weighted densities. This is based on an extended deconvolution of the Mayer f-function for arbitrarily shaped convex hard bodies in tensorial weight functions, which depend each only on the shape and orientation of a single particle. In the course of an examination of the isotropic-nematic interface at coexistence the functional is applied to anisotropic and inhomogeneous problems for the first time. We find good qualitative agreement with other theoretical predictions and also with Monte Carlo simulations. (c) 2014 AIP Publishing LLC.
APA:
Wittmann, R., & Mecke, K. (2014). Surface tension of isotropic-nematic interfaces: Fundamental measure theory for hard spherocylinders. Journal of Chemical Physics, 140(10). https://dx.doi.org/10.1063/1.4867277
MLA:
Wittmann, Rene, and Klaus Mecke. "Surface tension of isotropic-nematic interfaces: Fundamental measure theory for hard spherocylinders." Journal of Chemical Physics 140.10 (2014).
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