Issue
Korean Journal of Chemical Engineering,
Vol.12, No.4, 491-493, 1995
SOLVATION PRESSURE OF SIMPLE FLUIDS IN SPHERICAL PORES
Computer simulations via the grand canonical ensemble Monte Carlo method have been carried out to investigate the equilibrium properties of simple fluids distributed between the external bulk phase and the pore phase. Solvation pressures and pore density profiles are computed for the system of hard-sphere fluids inside a spherical hard-wall model pore. For dilute concentrations, the resulting solvation pressures are approximately equal to those in the bulk phase. However, at a moderately dense concentration of nB*=0.4, a weakly oscillatory behavior of the solvation pressure starts to emerge. The apparent maximum and minmum peaks are exhibited in the case of nB*=0.6 due to the local density inhomogeneities in the pore phase.
[References]
  1. Adams DJ, Mol. Phys., 28, 1241, 1974
  2. Adams DJ, Mol. Phys., 29, 307, 1975
  3. Balbuena PB, Berry D, Gubbins KE, J. Phys. Chem., 7, 937, 1993
  4. Deen WM, AIChE J., 33, 1409, 1987
  5. Israelachvili JN, Adv. Colloid Interface Sci., 16, 31, 1982
  6. Israelachvili JN, Adams GE, J. Chem. Soc.-Faraday Trans., 74, 975, 1978
  7. Kim SC, Suh JK, Suh SH, Mol. Phys., 79, 1369, 1993
  8. Marcelja S, "Liquids at Interfaces," Charvolin, J., Joanny, J.F. and Zinn-Justin, J. eds., North-Holland, Amsterdam, 1990
  9. MacElroy JMD, Suh SH, AIChE Symp. Ser., 82, 133, 1986
  10. MacElroy JMD, Suh SH, Mol. Phys., 60, 475, 1987
  11. MacElroy JMD, Suh SH, Mol. Simul., 2, 313, 1989
  12. Magda J, Tirrell JM, Davis HT, J. Chem. Phys., 83, 1888, 1985
  13. Nicholson D, Parsonage NG, "Computer Simulation and the Statistical Mechanics of Adsorption," Academic Press, New York, 1982
  14. Reed TM, Gubbins KE, "Applied Statistical Mechanics," McGraw-Hill, New York, 1973
  15. Snook IK, vanMegen W, J. Chem. Phys., 72, 2907, 1980
  16. Suh SH, MacElroy JMD, Mol. Phys., 58, 445, 1986
  17. Suh SH, Kim JS, Park CY, HWAHAK KONGHAK, 29(6), 742, 1991
  18. Suh SH, Park HK, Korean J. Chem. Eng., 11(3), 198, 1994
  19. Tabor D, Winterton RHS, Proc. Roy. Soc. A, 312, 435, 1969