Nucleation in hydrophobic cylindrical pores: a lattice model.

作者: A. Saugey , L. Bocquet , J. L. Barrat

DOI: 10.1021/JP045912S

关键词:

摘要: We consider the nucleation process associated with capillary condensation of a vapor in hydrophobic cylindrical pore (capillary evaporation). The liquid-vapor transition is described within framework simple lattice model. phase properties are characterized both at mean-field level and Monte Carlo simulations. for liquid to then specifically considered. Using umbrella sampling techniques, we show that occurs through an asymmetric bubble surface. Even highly confined systems, good agreement found macroscopic considerations based on classical theory. results discussed context recent experimental work extrusion water pores.

参考文章(3)
John Shipley Rowlinson, Molecular theory of capillarity ,(1982)
David Chandler, Jerome K. Percus, Introduction to modern statistical mechanics ,(1987)
Daan Frenkel, Berend Smit, Jan Tobochnik, Susan R. McKay, Wolfgang Christian, Understanding Molecular Simulation Computers in Physics. ,vol. 11, pp. 351- 354 ,(2001) , 10.1063/1.4822570