Thermodynamics of dipolar hard spheres with low-to-intermediate coupling constants / Elfimova Ekaterina A.,Ivanov Alexey O.,Camp Philip J. // PHYSICAL REVIEW E. - 2012. - V. 86, l. 2, 1.

ISSN/EISSN:

1539-3755 / нет данных

Type:

Article

Abstract:

The thermodynamic properties of the dipolar hard-sphere fluid are studied using theory and simulation. A new theory is derived using a convenient mathematical approximation for the Helmholtz free energy relative to that for the hard-sphere fluid. The approximation is designed to give the correct low-density virial expansion. New theoretical and numerical results for the fourth virial coefficient are given. Predictions of thermodynamic functions for dipolar coupling constants lambda = 1 and 2 show excellent agreement with simulation results, even at the highest value of the particle volume fraction phi. For higher values of lambda, there are deviations at high volume fractions, but the correct low-density behavior is retained. The theory is compared critically against the established thermodynamic perturbation theory; it gives significant improvements at low densities and is more convenient in terms of the required numerics. Dipolar hard spheres provide a basic model for ferrofluids, and the theory is accurate for typical experimental parameters. lambda less than or similar to 2 and phi less than or similar to 0.1. This is demonstrated explicitly by fitting osmotic equations of state for real ferrofluids measured recently by analytical centrifugation.

Author keywords:

PRESSURE VIRIAL-COEFFICIENTS; LIQUID-VAPOR COEXISTENCE; SIMPLE POLAR FLUIDS; STRUCTURAL-PROPERTIES; PERTURBATION-THEORY; TRANSITION; FORCES

DOI:

10.1103/PhysRevE.86.021126

Web of Science ID:

ISI:000307810500004

Соавторы в МНС:

Другие поля

Поле	Значение
Month	AUG 23
Publisher	AMER PHYSICAL SOC
Address	ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
Language	English
Article-Number	021126
Keywords-Plus	PRESSURE VIRIAL-COEFFICIENTS; LIQUID-VAPOR COEXISTENCE; SIMPLE POLAR FLUIDS; STRUCTURAL-PROPERTIES; PERTURBATION-THEORY; TRANSITION; FORCES
Research-Areas	Physics
Web-of-Science-Categories	Physics, Fluids \& Plasmas; Physics, Mathematical
Author-Email	philip.camp@ed.ac.uk
ResearcherID-Numbers	Elfimova, Ekaterina/P-5003-2016 Camp, Philip/J-7757-2013 Ivanov, Alexey/E-4442-2011
ORCID-Numbers	Ivanov, Alexey/0000-0001-8239-4039 Camp, Philip/0000-0002-7901-1364 Elfimova, Ekaterian/0000-0002-8941-8184
Funding-Acknowledgement	Ministry of Education and Science of the Russian Federation; Russian Foundation for Basic Research
Funding-Text	The authors thank Ben Erne, Bob Luigjes, and Albert Philipse (Utrecht) for supplying the experimental data and for motivating the current work. E.A.E. and A.O.I. gratefully acknowledge grants from the Ministry of Education and Science of the Russian Federation and the Russian Foundation for Basic Research. P.J.C. thanks the Ural Federal University for supporting a collaborative visit to Ekaterinburg.
Number-of-Cited-References	44
Usage-Count-Last-180-days	1
Usage-Count-Since-2013	19
Journal-ISO	Phys. Rev. E
Doc-Delivery-Number	992WI