Khakshouri, S;
Ford, IJ;
(2004)
Thermodynamics of attractive hard rods: A test of mean field density functional theory.
The Journal of Chemical Physics
, 121
(11)
5081 - 5090.
10.1063/1.1782371.
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Abstract
Mean field density functional theory (MFDFT) has been employed to calculate the free energy of a pair of attractive hard rods on a ring. The results for homogeneous and optimal inhomogeneous density profiles have been compared with the exact free energy as a test of the approach. We discuss the problems in applying MFDFT to small systems and suggest modifications which allow a reasonably accurate treatment of this particular, rather extreme, case. (C) 2004 American Institute of Physics.
| Type: | Article |
|---|---|
| Title: | Thermodynamics of attractive hard rods: A test of mean field density functional theory |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1063/1.1782371 |
| Publisher version: | http://dx.doi.org/10.1063/1.1782371 |
| Language: | English |
| Additional information: | © 2004 AIP Publishing. This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. The following article appeared in Khakshouri, S; Ford, IJ; (2004) Thermodynamics of attractive hard rods: A test of mean field density functional theory. The Journal of Chemical Physics , 121 (11) 5081 - 5090, and may be found at http://dx.doi.org/10.1063/1.1782371. |
| Keywords: | vapor-liquid nucleation, monte-carlo-simulation, homogeneous nucleation, molecular clusters, classical fluid, phase, fluctuations, translation, dynamics, growth |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy |
| URI: | https://discovery.ucl.ac.uk/id/eprint/66620 |
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