Disjoining pressure and structure of a fluid confined between nanoscale surfaces

作者: Ilia V. Kopanichuk , Aleksandr A. Vanin , Elena N. Brodskaya

DOI: 10.1016/J.COLSURFA.2017.04.072

关键词:

摘要: Abstract The grand canonical Monte Carlo (GCMC) simulation method has been used to estimate the disjoining pressure and obtain distribution of density adsorbed Lennard-Jones fluid in finite narrow slits between nanosized surfaces graphite. influence radius cross section slit chemical potential on properties considered. Different contributions from fluid-fluid, fluid-solid solid–solid interactions solvation force have analyzed. Significant effects are observed for slits. oscillatory behaviour mean depends width a is similarly this an infinite slit. A decrease leads some reduction absolute values density. Edge exhibited larger local central area than its periphery. toroidal region with high concentration appears out near edge. Predictions asymptotic theory equilibrium liquid phase confirmed.

参考文章(34)
Ilia V. Kopanichuk, Alexandr A. Vanin, Elena N. Brodskaya, Edge effects on adsorption of Lennard-Jones fluid in finite carbon slits Colloids and Surfaces A: Physicochemical and Engineering Aspects. ,vol. 485, pp. 18- 24 ,(2015) , 10.1016/J.COLSURFA.2015.08.045
M. Schoen, D. J. Diestler, J. H. Cushman, Fluids in micropores. I. Structure of a simple classical fluid in a slit-pore Journal of Chemical Physics. ,vol. 87, pp. 5464- 5476 ,(1987) , 10.1063/1.453665
Joonkyung Jang, Mino Yang, George Schatz, Microscopic origin of the humidity dependence of the adhesion force in atomic force microscopy Journal of Chemical Physics. ,vol. 126, pp. 174705- 174705 ,(2007) , 10.1063/1.2734548
John E. Lane, Thomas H. Spurling, Forces between adsorbing walls: Monte Carlo calculations Chemical Physics Letters. ,vol. 67, pp. 107- 108 ,(1979) , 10.1016/0009-2614(79)87116-X
J. H. Irving, John G. Kirkwood, The Statistical Mechanical Theory of Transport Processes. IV. The Equations of Hydrodynamics The Journal of Chemical Physics. ,vol. 18, pp. 817- 829 ,(1950) , 10.1063/1.1747782
I. K. Snook, W. van Megen, Solvation forces in simple dense fluids. I Journal of Chemical Physics. ,vol. 72, pp. 2907- 2913 ,(1980) , 10.1063/1.439489
R. Evans, U. Marini Bettolo Marconi, Phase equilibria and solvation forces for fluids confined between parallel walls Journal of Chemical Physics. ,vol. 86, pp. 7138- 7148 ,(1987) , 10.1063/1.452363
I. K. Snook, W. J. van Megen, Solvation forces in simple dense fluids. III. Monolayer and submonolayer region Journal of Chemical Physics. ,vol. 75, pp. 4738- 4739 ,(1981) , 10.1063/1.442595
Minoru T. Miyahara, Hideki Tanaka, Determination of phase equilibria in confined systems by open pore cell Monte Carlo method. Journal of Chemical Physics. ,vol. 138, pp. 084709- 084709 ,(2013) , 10.1063/1.4792715