Structure of molecular liquids

Allen, Michael; Mason, CP; Miguel, Enrique de; Stelzer, Joachim

doi:10.1103/physreve.52.r25

Cited by 45 publications

(20 citation statements)

References 11 publications

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“…They used the PY closure relation and found the spherical harmonic expansion coefficients of the HE DCFs. The results were in agreement with those obtained from computer simulation [17,25]. Rickayzen and coworkers [26,27] introduced the two and three parameters which are based on an ansatz for the HE DCF.…”

Section: Introductionsupporting

confidence: 88%

“…The HGO model can be regarded as a simple and analytical representation of excluded volume interaction. Many works have been done to find the DCF of HE fluid [17,18] and HGO model [18][19][20]. An approximate DCF of HE proposed by Pynn [21] relies on the Percus-Yevick (PY) [22] analytic expression of hard sphere DCF, using angle dependent intermolecular separation.…”

Section: Introductionmentioning

confidence: 99%

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The direct correlation functions of hard Gaussian overlap and hard ellipsoidal fluids

Avazpour

Moradi

2007

Physica B: Condensed Matter

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Section: Introductionsupporting

confidence: 88%

Section: Introductionmentioning

confidence: 99%

The direct correlation functions of hard Gaussian overlap and hard ellipsoidal fluids

Avazpour

Moradi

2007

Physica B: Condensed Matter

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“…The DCF of hard ellipsoids which are required in the mentioned equations has been calculated by Allen et al 37 …”

Section: Appendix: Direct Correlation Function Of Hard Ellipsoidsmentioning

confidence: 99%

The study of uniaxial–biaxial phase transition of confined hard ellipsoids using density functional theory

Moradi

Ghotbabadi

Aliabadi

2017

Int. J. Mod. Phys. C

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The density profiles and corresponding order parameters of the hard ellipsoids confined between two hard walls and also in contact with a single hard wall are studied using the density functional theory. The Hyper-Netted Chain (HNC) approximation is used to write excess grand potential of the system with respect to the bulk value. To simplify the calculations we use restricted orientation model (ROM) for the orientation of ellipsoids to find the density profiles and order parameters. Density functional theory shows that there is a uniaxial-biaxial phase transition near a single hard wall and also between two hard walls for a fluid consisting of uniaxial hard ellipsoidal particles with finite elongation.

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“…With this restriction the OZ equation can be solved as shown by Blum [15]. We applied this procedure according to the outlines given elsewhere [16]. The resulting DPCF expansion coefficients, c L 1 ,L 2 ,L (r ij ), decay to zero to O(10 −6 ) within the range of the intermolecular potential.…”

Section: Monte Carlo Simulations For Pear Shaped Moleculesmentioning

confidence: 99%

Flexoelectric effects in liquid crystals formed by pear-shaped molecules. A computer simulation study

Stelzer

Berardi

Zannoni

1999

Chemical Physics Letters

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Structure of molecular liquids

Cited by 45 publications

References 11 publications

The direct correlation functions of hard Gaussian overlap and hard ellipsoidal fluids

The direct correlation functions of hard Gaussian overlap and hard ellipsoidal fluids

The study of uniaxial–biaxial phase transition of confined hard ellipsoids using density functional theory

Flexoelectric effects in liquid crystals formed by pear-shaped molecules. A computer simulation study

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