Abstract
The Percus–Yevick integral equation theory has been solved to study the equilibriumand structural properties of quadrupolar Gay–Berne fluids. The method usedinvolves an expansion of angle-dependent functions appearing in the integralequations in terms of spherical harmonics and the harmonic coefficients are obtainedby an iterative algorithm. All the terms of harmonic coefficients which involvel indices up to less than or equal to 6 have been considered. Molecules withlength-to-breadth ratios 3.0 and 4.0 have been considered and results are reported fordifferent densities, temperatures, and quadrupole moments. The values of paircorrelation functions have been compared with the available computer simulationresults.
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