Direct determination of fluid-solid coexistence of square-well fluids confined in narrow cylindrical hard pores
Cited 7 times in
Cited 7 times in
- Title
- Direct determination of fluid-solid coexistence of square-well fluids confined in narrow cylindrical hard pores
- Author
- Huang, Huan Cong; Chen, Wen Wen; Singh, Jayant K.; Kwak, Sang Kyu
- Keywords
- Direct determination; Equation of state; Fluid-phase; Fluid-solid coexistence; Fluid-solid phase transition; Hard sphere fluids; Molecular simulations; Pore diameters; Potential wells; Solid-phase; Square well fluid
- Issue Date
- 2010-06
- Publisher
- AMER INST PHYSICS
- Citation
- JOURNAL OF CHEMICAL PHYSICS, v.132, no.22, pp.1 - 8
- Abstract
- Fluid-solid phase transition and coexistence of square-well fluids confined in narrow cylindrical hard pores are characterized using molecular simulation methods. The equation of state containing a fluid phase, a solid phase and a fluid-solid coexistence state was separately obtained for different attractive ranges of potential well and pore diameters; lambda = 1.2, 1.3, 1.4, and 1.5 for a pore of diameter D = 2.2 sigma, lambda = 1.5 and 1.65 for a pore of diameter D = 2.5 sigma. For lambda = 1.2, 1.3, and 1.4 at pore diameter D = 2.2 sigma, lambda = 1.5 at D = 2.5 sigma, the fluid-solid phase coexistence densities and pressure are close to the hard sphere fluids at the same temperature, while the pressure decreases significantly for lambda = 1.5 at D = 2.2 sigma and lambda = 1.65 at D = 2.5 sigma, respectively. We also report the structural properties of the systems undergoing a phase transition.
- URI
- ; Go to Link
- DOI
- 10.1063/1.3429741
- ISSN
- 0021-9606
- Appears in Collections:
- ECHE_Journal Papers
- Files in This Item:
-
2-s2.0-77953590894.pdf
Download
can give you direct access to the published full text of this article. (UNISTARs only)
Show full item record
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.