Equilibrium properties of hard non-sphere fluids

Singh, Tejinder P.; Sinha, Jaivardhan; Sinha, S. K.

doi:10.1007/bf02847747

Cited by 8 publications

(1 citation statement)

References 18 publications

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“…It has been found that considerable similarity exists between hard gaussian overlap models and hard ellipsoids of revolution (HER) so that the HER equation of state can be employed to determine the thermodynamic quantities of the HGO fluid [13,16]. Secondly a simple approximation for the molecular distribution function can be found [1][2][3][4][5][6][7][8][9][10][11][12][13]20] which makes it possible to transform the many-fold integrals in the perturbation terms into simple integrals multiplied by factors depending on the length-to-breadth ratio only.…”

Section: Introductionmentioning

confidence: 99%

Perturbation theory of pure quadrupolar hard gaussian overlap fluids

Boublı́k

1990

Molecular Physics

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To cite this article: Tomá[sbreve] Boublik (1990) Perturbation theory of pure quadrupolar hard gaussian overlap fluids, Molecular Physics, 69:3, 497-505, A perturbation theory of hard gaussian overlap (HGO) models with electrostatic interactions is proposed. The essentially u-type perturbation method is developed to describe the behaviour of the prolate HGO models with permanent multipole moments. The prolate HGO model with the permanent quadrupole moment is considered in detail and the calculated thermodynamic data are compared with the MC results for the corresponding quadrupolar hard dumbells. A fair agreement is found for the compressibility factor as well as the free and internal energy.

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