PMID: 11909085Mar 23, 2002Paper

Structure and freezing of fluids interacting via the Gay-Berne (n-6) potentials

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
Ram Chandra SinghYashwant Singh

Abstract

We have calculated the pair-correlation functions of a fluid interacting via the Gay-Berne (n-6) pair potentials using the Percus-Yevick integral equation theory and have shown how these correlations depend on the value of n that measures the sharpness of the repulsive core of the pair potential. These results have been used in the density-functional theory to locate the freezing transitions of these fluids. We have used two different versions of the theory known as the second order and the modified weighted-density-functional theory and examined the freezing of these fluids for 8< or =n< or =30 and in the reduced temperature range lying between 0.65 and 1.25 into the nematic and the smectic A phases. For none of these cases smectic A phase was found to be stabilized though in some range of temperature for a given n it appeared as a metastable state. We have examined the variation of freezing parameters for the isotropic-nematic transition with temperature and n. We have also compared our results with simulation results wherever they are available. While we find that the density-functional theory is good to study the freezing transitions in such fluids the structural parameters found from the Percus-Yevick theory need to be imp...Continue Reading

References

Jan 1, 1989·Physical Review A: General Physics·A R Denton, N W Ashcroft
May 1, 1989·Physical Review A: General Physics·A R Denton, N W Ashcroft
Jun 1, 1994·Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics·J RamY Singh
Jul 1, 1996·Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics·R C SinghY Singh

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Citations

Aug 4, 2007·The Journal of Chemical Physics·Pankaj MishraYashwant Singh
Mar 18, 2009·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Ram Chandra SinghJokhan Ram
Jul 12, 2005·The European Physical Journal. E, Soft Matter·Pankaj Mishra, Jokhan Ram

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