PREWETTING AT A SOLID-FLUID INTERFACE VIA MONTE-CARLO SIMULATION - REPLY

被引:21
作者
FINN, JE
MONSON, PA
机构
[1] Department of Chemical Engineering, University of Massachusetts, Amherst
来源
PHYSICAL REVIEW A | 1990年 / 42卷 / 04期
关键词
D O I
10.1103/PhysRevA.42.2458
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
Velasco and Tarazona [preceding Comment, Phys. Rev. A 42, 2454 (1990)] have presented density-functional-theory predictions for prewetting at a Lennard-Jones 12-69-3 fluid-solid interface and they have compared their results with our recently published Monte Carlo simulation data [J. E. Finn and P. A. Monson, Phys. Rev. A 39, 6402 (1989)]. The agreement is good except for the location of the prewetting line which in the density-functional theory lies at lower values of the pressure relative to saturation than those estimated from the simulations. This leads to prediction of a lower value for the wetting temperature. Velasco and Tarazona suggest that this difference may be due to an underestimation by us of the saturation pressures of the truncated 12-6 fluid. We have performed further Monte Carlo simulations of the coexistence properties of the truncated 12-6 fluid and the results support the accuracy of our method for estimating saturation properties. Thus the difference between simulation and theory cannot be explained in the manner described by Velasco and Tarazona. © 1990 The American Physical Society.
引用
收藏
页码:2458 / 2459
页数:2
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共 8 条
  • [1] CRITICAL-POINT WETTING
    CAHN, JW
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (08) : 3667 - 3672
  • [2] NEW PHASE-TRANSITION PHENOMENA IN THIN ARGON FILMS
    EBNER, C
    SAAM, WF
    [J]. PHYSICAL REVIEW LETTERS, 1977, 38 (25) : 1486 - 1489
  • [3] PREWETTING AT A FLUID-SOLID INTERFACE VIA MONTE-CARLO SIMULATION
    FINN, JE
    MONSON, PA
    [J]. PHYSICAL REVIEW A, 1989, 39 (12): : 6402 - 6408
  • [4] INCONSISTENCY OF THE DENSITY-FUNCTIONAL THEORY OF ADSORPTION WHEN USING COMPUTER-SIMULATIONS
    LANE, JE
    SPURLING, TH
    FREASIER, BC
    PERRAM, JW
    SMITH, ER
    [J]. PHYSICAL REVIEW A, 1979, 20 (05): : 2147 - 2153
  • [5] EQUATION OF STATE FOR THE LENNARD-JONES FLUID
    NICOLAS, JJ
    GUBBINS, KE
    STREETT, WB
    TILDESLEY, DJ
    [J]. MOLECULAR PHYSICS, 1979, 37 (05) : 1429 - 1454
  • [6] PHASE-EQUILIBRIA BY SIMULATION IN THE GIBBS ENSEMBLE - ALTERNATIVE DERIVATION, GENERALIZATION AND APPLICATION TO MIXTURE AND MEMBRANE EQUILIBRIA
    PANAGIOTOPOULOS, AZ
    QUIRKE, N
    STAPLETON, M
    TILDESLEY, DJ
    [J]. MOLECULAR PHYSICS, 1988, 63 (04) : 527 - 545
  • [7] MOLECULAR-DYNAMICS SIMULATION OF WETTING AND DRYING AT SOLID-FLUID INTERFACES
    SIKKENK, JH
    INDEKEU, JO
    VANLEEUWEN, JMJ
    VOSSNACK, EO
    [J]. PHYSICAL REVIEW LETTERS, 1987, 59 (01) : 98 - 101
  • [8] PREWETTING AT A SOLID-FLUID INTERFACE VIA MONTE-CARLO SIMULATION - COMMENT
    VELASCO, E
    TARAZONA, P
    [J]. PHYSICAL REVIEW A, 1990, 42 (04): : 2454 - 2457