Loughborough University
Leicestershire, UK
LE11 3TU
+44 (0)1509 263171
Loughborough University

Loughborough University Institutional Repository

Please use this identifier to cite or link to this item: https://dspace.lboro.ac.uk/2134/16036

Title: Pair-correlation functions and phase separation in a two-component point Yukawa fluid
Authors: Hopkins, Paul
Archer, Andrew J.
Evans, Robert
Issue Date: 2006
Publisher: © American Institute of Physics
Citation: HOPKINS, P., ARCHER, A.J. and EVANS, R., 2006. Pair-correlation functions and phase separation in a two-component point Yukawa fluid. Journal of Chemical Physics, 124 (5), 054503.
Abstract: We investigate the structure of a binary mixture of particles interacting via purely repulsive point Yukawa pair potentials with a common inverse screening length λ. Using the hypernetted chain closure to the Ornstein-Zernike equations, we find that for a system with "ideal" (Berthelot mixing rule) pair-potential parameters for the interaction between unlike species, the asymptotic decay of the total correlation functions crosses over from monotonic to damped oscillatory on increasing the fluid total density at fixed composition. This gives rise to a Kirkwood line in the phase diagram. We also consider a "nonideal" system, in which the Berthelot mixing rule is multiplied by a factor (1+δ). For any δ0 the system exhibits fluid-fluid phase separation and remarkably the ultimate decay of the correlation functions is now monotonic for all (mixture) state points. Only in the limit of vanishing concentration of either species does one find oscillatory decay extending to r=∞. In the nonideal case the simple random-phase approximation provides a good description of the phase separation and the accompanying Lifshitz line. © 2006 American Institute of Physics.
Description: Copyright 2006 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in Journal of Chemical Physics, 2006, 124 (5), 054503 and may be found at: http://dx.doi.org/10.1063/1.2162884
Sponsor: One of the authors (P.H.) is grateful for the support of an EPSRC studentship and another author (A.J.A.) acknowledges the support of EPSRC under Grant No. GR/S28631/01.
Version: Published
DOI: 10.1063/1.2162884
URI: https://dspace.lboro.ac.uk/2134/16036
Publisher Link: http://dx.doi.org/10.1063/1.2162884
ISSN: 0021-9606
Appears in Collections:Published Articles (Maths)

Files associated with this item:

File Description SizeFormat
1.2162884.pdfPublished version376.99 kBAdobe PDFView/Open


SFX Query

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.