Solvation force in hard ellipsoid fluids with HNW interaction

Ordibeheshti, Z.; Aavazpour, A.; Sadeghi, E.; Hekmatzadeh, S.M.; Firouzi, Z.

doi:10.1080/00268976.2014.882520

Cited by 1 publication

(2 citation statements)

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“…One of the most successful theories is the density functional theory (DFT) which has been proven to be a powerful tool in the study of the thermodynamics and structures of the bulk and non-uniform phases of the molecular fluids [3][4][5] . It has been applied to examine, nuclei, atoms, molecules, solids and the quantum and classical fluids.…”

Section: Introductionmentioning

confidence: 99%

“…To understand the physical properties of the different states of matter, various theoretical methods like integral equations 1 and molecular dynamics 2 have been used. One of the most successful theories is the density functional theory (DFT) which has been proven to be a powerful tool in the study of the thermodynamics and structures of the bulk and non-uniform phases of the molecular fluids [3][4][5] . It has been applied to examine, nuclei, atoms, molecules, solids and the quantum and classical fluids.…”

Section: Introductionmentioning

confidence: 99%

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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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Section: Introductionmentioning

confidence: 99%