Abstract
The capillary phase separation of a binary mixture of two truncated and shifted Lennard-Jones (LJ) Ar liquids in slit-shaped oxygen nanopores is examined. The LJ parameters—ε(Ar(A)–Ar(A))=ε(Ar(B)–Ar(B))=0.8ε(Ar(A)–Ar(B)) and 0.5ε(Ar(A)–O) = ε(Ar(B)–O)—were used to distinguish the two Ar liquids. The cut off distance for Ar was 3.5σ. We employed a molecular dynamics (MD) technique in which a pore space was connected with a bulk solution to easily determine the equilibrium bulk concentration. Liquid phase isotherms were obtained for pores with widths ranging from 5.5σ to 9.5σ, and the relation between the pore width and the phase separation concentration was determined. Each simulation was run until the bulk concentration attained equilibrium (1–2 μs). The MD results show that the Patrick model overestimates the bulk concentration for a given pore size. We proposed a modified Patrick model in which the pore wall potential is considered. In our model, the Gibbs-Tolman-Koenig-Buff effect is not considered for the interfacial tension since two surfaces of tension exist on both sides of the equimolar dividing surface of the two-Ar liquid phase. The two surfaces of tension neutralized Gibbs-Tolman-Koenig-Buff effect each other. The present simple model successfully describes the relation to prove its reliability.
Article PDF
Similar content being viewed by others
References
Brochard, F., De Gennes, P.G.: J. Phys. Lett. 44, L785–L791 (1983)
Brodka, A., Zerda, T.W.: J. Chem. Phys. 104, 6319–6326 (1996)
Buff, F.P., Kirkwood, J.G.: J. Chem. Phys. 18, 991–992 (1950)
Chen, L.: J. Chem. Phys. 103, 10214–10216 (1995)
De Gennes, P.G.: J. Phys. Chem. 88, 6469–6492 (1984)
Gelb, D., Gubbins, K.E.: Phys. Rev. E 56, 3185–3196 (1997a)
Gelb, D., Gubbins, K.E.: Phys. Rev. E 55, R1290 (1997b)
Gelb, D., Gubbins, K.E.: Physica A 244, 112–123 (1997c)
Goada, W.T., Gubbins, K.E., Panagiotopoulos, A.Z.: Mol. Phys. 84, 825–834 (1995)
Heuchel, M., Snurr, R.Q., Buss, E.: Langmuir 13, 6795–6804 (1997)
Holcomb, C.D., Clancy, P., Zollweg, J.A.: Mol. Phys. 78, 437–459 (1993)
Kanda, H., Miyahara, M., Higashitani, K.: Langmuir 16, 6064–6066 (2000a)
Kanda, H., Miyahara, M., Yoshioka, T., Okazaki, M.: Langmuir 16, 6622–6627 (2000b)
Keblinski, P., Ma, W.-L., Maritan, A., Kopik, J., Banavar, J.R.: Phys. Rev. E 47, R2265–R2268 (1993)
Kirkwood, J.G., Buff, F.P.: J. Chem. Phys. 17, 338–343 (1949)
Laradji, M., Toxvaerd, S., Mouritsen, O.G.: Phys. Rev. Lett. 77, 2253–2256 (1996)
Lin, A.J., Durian, D.J., Herbolzheimer, E., Safran, S.A.: Phys. Rev. Lett. 65, 1897–1900 (1990)
Ma, W.-J., Maritan, A., Banavar, J.R., Kopik, J.: Phys. Rev. A 54, R5347–R5350 (1992)
Miyahara, M., Kato, M., Okazaki, M.: AIChE J. 40, 1549–1557 (1994)
Miyahara, M., Suzuki, K., Okazaki, M.: J. Chem. Eng. Jpn. 30, 683–690 (1997a)
Miyahara, M., Yoshioka, T., Okazaki, M.: J. Chem. Phys. 106, 8124–8134 (1997b)
Miyahara, M., Kanda, H., Yoshioka, T., Okazaki, M.: Langmuir 16, 4293–4299 (2000)
Nakanishi, H., Fisher, M.E.: J. Chem. Phys. 78, 3279–3292 (1983)
Nijmeijer, M.J.P., Bakker, A.F., Bruin, C., Sikkenk, J.H.: J. Chem. Phys. 89, 3789–3792 (1988)
Patrick, W.A., Eberman, N.F.: J. Phys. Chem. 29, 220–228 (1925)
Patrick, W.A., Jones, D.C.: J. Phys. Chem. 29, 1–10 (1925)
Sliwinska-Bartkowiak, M., Sowers, S.L., Gubbins, K.E.: Langmuir 13, 1182–1188 (1997)
Strickland, B., Leptoukh, G., Roland, C.: J. Phys. A: Math. Gen. 28, L403–L408 (1995)
Tolman, R.C.: J. Chem. Phys. 16, 758–774 (1948)
Tolman, R.C.: J. Chem. Phys. 17, 118–127 (1949a)
Tolman, R.C.: J. Chem. Phys. 17, 333–337 (1949b)
Trokhymchuk, A., Alejandre, J.: J. Chem. Phys. 111, 8510–8523 (1999)
Valiullin, R., Furo, I.: Phys. Rev. E 66, 031508 (2002)
Velasco, E., Toxvaerd, S.: Phys. Rev. E 54, R605–610 (1996)
Yoshioka, T., Miyahara, M., Okazaki, M.: J. Chem. Eng. Jpn. 30, 274–284 (1997)
Zhang, A., Chakrabarti, A.: Phys. Rev. E 50, R4290–R4293 (1994)
Zhang, A., Chakrabarti, A.: Phys. Rev. B 52, 2736–2741 (1995)
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
Open Access This is an open access article distributed under the terms of the Creative Commons Attribution Noncommercial License (https://creativecommons.org/licenses/by-nc/2.0), which permits any noncommercial use, distribution, and reproduction in any medium, provided the original author(s) and source are credited.
About this article
Cite this article
Kanda, H., Makino, H. Liquid-liquid phase separation of binary Lennard-Jones fluid in slit nanopores. Adsorption 14, 485–491 (2008). https://doi.org/10.1007/s10450-008-9121-1
Received:
Revised:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s10450-008-9121-1