The local pressure in a cylindrical liquid-vapor interface: A simulation study

Journal of Chemical Physics

Volumn 106, Issue 2, 1997, Pages 645-654

  Mareschal, M ^a   Baus, M ^a   Lovett, R ^b  

^a UNIVERSITÉ LIBRE DE BRUXELLES   (Belgium)

^b WASHINGTON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001139642     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.473402     Document Type: Article

References (22)

1. R. Defay, I. Prigogine, and A. Bellemans, Surface Tension und Adsorption (Wiley, New York, 1966).
2. J. S. Rowlinson and B. Widom, Molecular Theory of Capillarity (Clarendon, Oxford, 1982).
3. J. D. Van der Waals, J. Stat. Phys. 20, 197 (1979), as translated by J. S. Rowlinson.
4. J. H. Irving and J. G. Kirkwood, J. Chem. Phys. 18, 817 (1950).
5. F. P. Buff, Z. Elektrochem. 56, 311 (1952).
6. A. Harasima, Adv. Chem. Phys. 1, 203 (1958).
7. J. W. Gibbs, The Scientific Papers (Dover, New York, 1961): Vol. 1, p. 219.
8. P. Schofield and J. R. Henderson, Proc. R. Soc. London, Ser. A 379, 231 (1982).
9. R. Lovett and M. Baus, J. Chem. Phys. 97, 8596 (1992).
10. M. Baus and R. Lovett, J. Chem. Phys. 103, 377 (1995).
11. R. Lovett and M. Baus, J. Chem. Phys. 106, 635 (1997), preceding paper.
12. For simulations of spherical interfaces within the stress-tensor approach, see, for example, M. J. P. Nijmeijer, C. Bruin, A. B. van Woerkom. A. F. Bakker, and J. M. J. van Leeuwen, J. Chem. Phys. 96, 565 (1992); S. M. Thompson, K. E. Gubbins, J. P. R. B. Walton, R. A. R. Chantry, and J. S. Rowlinson, J. Chem. Phys. 81, 530 (1984).
13. For simulations of spherical interfaces within the stress-tensor approach, see, for example, M. J. P. Nijmeijer, C. Bruin, A. B. van Woerkom. A. F. Bakker, and J. M. J. van Leeuwen, J. Chem. Phys. 96, 565 (1992); S. M. Thompson, K. E. Gubbins, J. P. R. B. Walton, R. A. R. Chantry, and J. S. Rowlinson, J. Chem. Phys. 81, 530 (1984).
14. S. Nosé in Computer Simulation in Materials Science, edited by M. Meyer and V. Pontikis, Vol. E205 Nato ASI Series (Kluwer, Dordtrecht, 1991); B. L. Holian, A. F. Voter, and R. Ravelo, Phys. Rev. E 52, 2338 (1995).
15. S. Nosé in Computer Simulation in Materials Science, edited by M. Meyer and V. Pontikis, Vol. E205 Nato ASI Series (Kluwer, Dordtrecht, 1991); B. L. Holian, A. F. Voter, and R. Ravelo, Phys. Rev. E 52, 2338 (1995).
16. Note that, for small aspect ratios, the surface area of the cylindrical interface contained in the basic simulation box is smaller than the area of the interface of a sphere with the same volume as this cylinder. This is so because the interface only appears on the lateral area of the cylinder and not on its basis area.
17. See M. P. Allen, in Computer Simulation in Chemical Physics, edited by M. P. Allen and D. J. Tildesley, Nato ASI Series C397 (Kluwer, Dordtrecht, 1992); L.-J. Chen, J. Chem. Phys. 103, 10214 (1995).
18. See M. P. Allen, in Computer Simulation in Chemical Physics, edited by M. P. Allen and D. J. Tildesley, Nato ASI Series C397 (Kluwer, Dordtrecht, 1992); L.-J. Chen, J. Chem. Phys. 103, 10214 (1995).
19. J. D. Weeks, R. L. B. Selinger, and J. Q. Broughton, Phys. Rev. Lett. 75, 2694 (1995).
20. B. Smit, Ph.D. thesis (University of Utrecht, The Netherlands, 1990) p. 62.
21. M. J. P. Nijmeijer, A. F. Bakker, C. Bruin, and J. H. Sikkenk, J. Chem. Phys. 89, 3789 (1988).
22. M. J. Haye and C. Bruin, J. Chem. Phys. 100, 556 (1994).