Fourth and fifth virial coefficients and thermodynamic properties of the dipolar hard sphere fluids in zero external magnetic field / Vtulkina Ekaterina D.,Elfimova Ekaterina A. // FLUID PHASE EQUILIBRIA. - 2016. - V. 417, l. . - P. 109-114.

ISSN/EISSN:

0378-3812 / 1879-0224

Type:

Article

Abstract:

Analytical-expressions of the fourth and the fifth virial coefficients for the dipole hard sphere fluid in zero external magnetic field are obtained on the basis of numerical results of Mayer-sampling calculations. The virial coefficients are incorporated in to the so-called logarithmic free energy (LFE) theory {[}E.A. Elfimova, A.O. Ivanov, P.J. Camp, Phys. Rev. E, 86, 021126 (2012)]. In this theory, the virial expansion of the Helmholtz free energy is re-summed into a logarithmic function. The argument of the logarithm is a polynomial expansion in density with coefficients chosen to give the first few terms in the conventional virial expansion. The theoretical predictions of the thermodynamic functions based on the LFE theory that accounts five virial coefficients are compared critically with published results from Monte Carlo simulations, conventional virial expansion, and known theory based on Fade approximation {[}G.S. Rushbrooke, G. Steil, J.S. Hoye, Mol. Phys., 26, 1199 (1973)]. It is shown that the LFE theory accurately captures computer simulation results for dipolar coupling constant lambda <= 4, even at the highest value of the particle volume fraction phi less than or similar to 0.5, and outperforms thermodynamic theories mentioned above. (C) 2016 Elsevier B.V. All rights reserved.

Author keywords:

Dipolar hard sphere fluid; Virial coefficients; Thermodynamic properties LIQUID-VAPOR COEXISTENCE; MONTE-CARLO-SIMULATION; SQUARE-WELL FLUIDS; EQUATION-OF-STATE; PERTURBATION-THEORY; PHASE-TRANSITION; MOLECULAR FLUIDS; FERROFLUIDS; YUKAWA

DOI:

10.1016/j.fluid.2016.02.032

Web of Science ID:

ISI:000374363000013

Соавторы в МНС:

—

Другие поля

Поле	Значение
Month	JUN 15
Publisher	ELSEVIER SCIENCE BV
Address	PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
Language	English
EISSN	1879-0224
Keywords-Plus	LIQUID-VAPOR COEXISTENCE; MONTE-CARLO-SIMULATION; SQUARE-WELL FLUIDS; EQUATION-OF-STATE; PERTURBATION-THEORY; PHASE-TRANSITION; MOLECULAR FLUIDS; FERROFLUIDS; YUKAWA
Research-Areas	Thermodynamics; Chemistry; Engineering
Web-of-Science-Categories	Thermodynamics; Chemistry, Physical; Engineering, Chemical
Author-Email	Ekaterina.Elfimova@urfu.ru
ResearcherID-Numbers	Elfimova, Ekaterina/P-5003-2016
Funding-Acknowledgement	Ministry of Education and Science of the Russian Federation {[}3.12.2014/K, 02.A03.21.0006]
Funding-Text	This work was supported by Ministry of Education and Science of the Russian Federation (Contract no. 3.12.2014/K, Agreement no. 02.A03.21.0006). The authors thank Julien Sindt for linguistic suggestions.
Number-of-Cited-References	45
Usage-Count-Since-2013	7
Journal-ISO	Fluid Phase Equilib.
Doc-Delivery-Number	DJ6ZZ