FINITE-SIZE EFFECTS ON DRYING AND WETTING TRANSITIONS IN A MOLECULAR-DYNAMICS SIMULATION

被引：24

作者：

BRUIN, C

NIJMEIJER, MJP

CREVECOEUR, RM

机构：

[1] Laboratorium voor Technische Natuurkunde, 2600 GA Delft

[2] Laboratoire de Physique Théorique et Hautes Energies, Bâtiment 211, Université Paris-Sud

[3] Interfaculty Reactor Institute, Delft Univ. of Technol.

来源：

JOURNAL OF CHEMICAL PHYSICS | 1995年 / 102卷 / 19期

关键词：

D O I：

10.1063/1.469013

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We report on finite-size effects in molecular dynamics simulations of the drying and wetting transitions in Lennard-Jones systems. These effects could be the reason for the incompatibility of previous, conflicting results on the nature of the drying of a substrate by a fluid. We indeed observe a crossover from a quasi-first-order to a continuous-like transition with increasing substrate area. We point out that the customary analysis based on the contact angle has disadvantages for a detailed study of the transition, which are absent in the study of the total substrate-fluid surface free energy. Furthermore, we introduce histogram techniques to this problem. © 1995 American Institute of Physics.

引用

页码：7622 / 7631

页数：10