Thermodynamics of dipolar hard spheres with low-to-intermediate coupling constants / Elfimova E.A., Ivanov A.O., Camp P.J. // Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. - 2012. - V. 86, l. 2.

ISSN:

15393755

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 λ=1 and 2 show excellent agreement with simulation results, even at the highest value of the particle volume fraction Ï•. For higher values of λ, 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 λâ‰2 and Ï•â‰0.1. This is demonstrated explicitly by fitting osmotic equations of state for real ferrofluids measured recently by analytical centrifugation. © 2012 American Physical Society.

Author keywords:

Index keywords:

Analytical centrifugation; Basic models; Coupling constants; Dipolar couplings; Dipolar hard spheres; Experimental parameters; Hard sphere fluids; High volume fraction; Low density; New theory; Numeri

DOI:

10.1103/PhysRevE.86.021126

Смотреть в Scopus:

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84865579757&doi=10.1103%2fPhysRevE.86.021126&partnerID=40&md5=86001df60f2613f7881e368e48e4f929

Соавторы в МНС:

—

Другие поля

Поле	Значение
Art. No.	021126
Link	https://www.scopus.com/inward/record.uri?eid=2-s2.0-84865579757&doi=10.1103%2fPhysRevE.86.021126&partnerID=40&md5=86001df60f2613f7881e368e48e4f929
Affiliations	Institute of Mathematics and Computer Sciences, Ural Federal University, 51 Lenin Avenue, Ekaterinburg 620000, Russian Federation; School of Chemistry, University of Edinburgh, West Mains Road, Edinburgh EH9 3JJ, United Kingdom
References	Gray, C.G., Gubbins, K.E., (1984) Theory of Molecular Fluids. Volume 1: Fundamentals, , Clarendon, Oxford; Ivanov, A.O., Kantorovich, S.S., Reznikov, E.N., Holm, C., Pshenichnikov, A.F., Lebedev, A.V., Chremos, A., Camp, P.J., Magnetic properties of polydisperse ferrofluids: A critical comparison between experiment, theory, and computer simulation (2007) Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 75 (6), p. 061405. , http://oai.aps.org/oai?verb=GetRecord&Identifier=oai:aps.org: PhysRevE.75.061405&metadataPrefix=oai_apsmeta_2, DOI 10.1103/PhysRevE.75.061405; Ivanov, A.O., Kantorovich, S.S., Reznikov, E.N., Holm, C., Pshenichnikov, A.A.F., Lebedev, A.V., Chremos, A., Camp, P.J., (2007) Magnetohydrodynamics, 43, p. 393; Teixeira, P.I.C., Tavares, J.M., Telo Da Gama, M.M., (2000) J. Phys.: Condens. Matter, 12, p. 411. , JCOMEL 0953-8984 10.1088/0953-8984/12/33/201; Ganzenmüller, G., Patey, G.N., Camp, P.J., (2009) Mol. Phys., 107, p. 403. , MOPHAM 0026-8976 10.1080/00268970902821587; De Gennes, P.G., Pincus, P.A., (1970) Phys. Kondens. Materie, 11, p. 189; Rovigatti, L., Russo, J., Sciortino, F., (2011) Phys. Rev. Lett., 107, p. 237801. , PRLTAO 0031-9007 10.1103/PhysRevLett.107.237801; Rovigatti, L., Russo, J., Sciortino, F., (2012) Soft Matter, 8, p. 6310. , 1744-683X 10.1039/c2sm25192b; McGrother, S.C., Jackson, G., (1996) Phys. Rev. Lett., 76, p. 4183. , PRLTAO 0031-9007 10.1103/PhysRevLett.76.4183; Ganzenmuller, G., Camp, P.J., Vapor-liquid coexistence in fluids of charged hard dumbbells (2007) Journal of Chemical Physics, 126 (19), p. 191104. , DOI 10.1063/1.2738059; Szalai, I., Henderson, D., Boda, D., Chan, K.-Y., (1999) J. Chem. Phys., 111, p. 337. , JCPSA6 0021-9606 10.1063/1.479275; Kalyuzhnyi, Y.V., Protsykevytch, I.A., Ganzenmüller, G., Camp, P.Â.J., (2008) Europhys. Lett., 84, p. 26001. , EULEEJ 0295-5075 10.1209/0295-5075/84/26001; Martín-Betancourt, M., Romero-Enrique, J.M., Rull, L.F., (2009) Mol. Phys., 107, p. 563. , MOPHAM 0026-8976 10.1080/00268970902889659; Almarza, N.G., Lomba, E., Martín, C., Gallardo, A., (2008) J. Chem. Phys., 129, p. 234504. , JCPSA6 0021-9606 10.1063/1.3039512; Wertheim, M.S., (1971) J. Chem. Phys., 55, p. 4291. , JCPSA6 0021-9606 10.1063/1.1676751; Nienhuis, G., Deutch, J.M., (1972) J. Chem. Phys., 56, p. 5511. , JCPSA6 0021-9606 10.1063/1.1677068; Stell, G., Rasaiah, J.C., Narang, H., (1972) Mol. Phys., 23, p. 393. , MOPHAM 0026-8976 10.1080/00268977200100381; Stell, G., Rasaiah, J.C., Narang, H., (1974) Mol. Phys., 27, p. 1393. , MOPHAM 0026-8976 10.1080/00268977400101181; Rushbrooke, G.S., Stell, G., Høye, J.S., (1973) Mol. Phys., 26, p. 1199. , MOPHAM 0026-8976 10.1080/00268977300102411; Henderson, D., (2011) Condens. Matter Phys., 14, p. 33001. , CMPHF5 1607-324X 10.5488/CMP.14.33001; Verlet, L., Weis, J.-J., (1974) Mol. Phys., 28, p. 665. , MOPHAM 0026-8976 10.1080/00268977400102051; Kalyuzhnyi, Y.V., Stell, G., (1993) Mol. Phys., 78, p. 1247. , MOPHAM 0026-8976 10.1080/00268979300100821; Kalyuzhnyi, Y.V., Protsykevytch, I.A., Cummings, P.T., (2007) Europhys. Lett., 80, p. 56002. , EULEEJ 0295-5075 10.1209/0295-5075/80/56002; Caillol, J.-M., (1993) J. Chem. Phys., 98, p. 9835. , JCPSA6 0021-9606 10.1063/1.464362; Luigjes, B., Thies-Weesie, D.M.E., Philipse, A.P., Erné, B.H., (2012) J. Phys.: Condens. Matter, 24, p. 245103. , JCOMEL 0953-8984 10.1088/0953-8984/24/24/245103; Luigjes, B., Thies-Weesie, D.M.E., Erné, B.H., Philipse, A.P., (2012) J. Phys.: Condens. Matter, 24, p. 245104. , JCOMEL 0953-8984 10.1088/0953-8984/24/24/245104; Joslin, C.G., (1981) Mol. Phys., 42, p. 1507. , MOPHAM 0026-8976 10.1080/00268978100101111; Philipse, A.P., Kuipers, B.W.M., (2010) J. Phys.: Condens. Matter, 22, p. 325104. , JCOMEL 0953-8984 10.1088/0953-8984/22/32/325104; Henderson, D., (2011) J. Chem. Phys., 135, p. 044514. , JCPSA6 0021-9606 10.1063/1.3615723; Pshenichnikov, A.F., Elfimova, E.A., Ivanov, A.O., (2011) J. Chem. Phys., 134, p. 184508. , JCPSA6 0021-9606 10.1063/1.3586806; Hansen, J.-P., McDonald, I.R., (2006) Theory of Simple Liquids, , Academic Press, London; Keesom, W.H., (1912) Comm. Phys. Lab. Leiden, Supp. B, 24; Keesom, W.H., (1921) Phys. Z., 22, p. 129; Keesom, W.H., (1921) Phys. Z., 22, p. 643; Joslin, C., Goldman, S., (1993) Mol. Phys., 79, p. 499. , MOPHAM 0026-8976 10.1080/00268979300101401; Singh, J.K., Kofke, D.A., (2004) Phys. Rev. Lett., 92, p. 220601. , PRLTAO 0031-9007 10.1103/PhysRevLett.92.220601; Carnahan, N.F., Starling, K.E., (1969) J. Chem. Phys., 51, p. 635. , JCPSA6 0021-9606 10.1063/1.1672048; Allen, M.P., Tildesley, D.J., (1987) Computer Simulation of Liquids, , Clarendon Press, Oxford; Ng, K.C., Valleau, J.P., Torrie, G.M., Patey, G.N., (1979) Mol. Phys., 38, p. 781. , MOPHAM 0026-8976 10.1080/00268977900102041; Scholl-Paschinger, E., Benavides, A.L., Castaneda-Priego, R., Vapor-liquid equilibrium and critical behavior of the square-well fluid of variable range: A theoretical study (2005) Journal of Chemical Physics, 123 (23), pp. 1-9. , DOI 10.1063/1.2137713, 234513; Gögelein, C., Romano, F., Sciortino, F., Giacometti, A., (2012) J. Chem. Phys., 136, p. 094512. , JCPSA6 0021-9606 10.1063/1.3689308; Dennison, M., Masters, A.J., (2011) Phys. Rev. e, 84, p. 021709. , PLEEE8 1539-3755 10.1103/PhysRevE.84.021709; Camp, P.J., Patey, G.N., (1999) J. Chem. Phys., 111, p. 9000. , JCPSA6 0021-9606 10.1063/1.480243; Elfimova, E.A., Ivanov, A.O., (2010) J. Exp. Theor. Phys., 111, p. 146. , JTPHES 1063-7761 10.1134/S1063776110070149; Nijboer, B.R.A., Van Hove, L., (1952) Phys. Rev., 85, p. 777. , PHRVAO 0031-899X 10.1103/PhysRev.85.777
Correspondence Address	Elfimova, E.A.; Institute of Mathematics and Computer Sciences, Ural Federal University, 51 Lenin Avenue, Ekaterinburg 620000, Russian Federation
CODEN	PLEEE
Language of Original Document	English
Abbreviated Source Title	Phys. Rev. E Stat. Nonlinear Soft Matter Phys.
Source	Scopus