Sałamacha L, Patrykiejew A, Sokołowski S, Binder K
Faculty of Chemistry, MCS University, 20031 Lublin, Poland.
J Chem Phys. 2005 Feb 15;122(7):074703. doi: 10.1063/1.1844394.
Grand canonical and canonical ensemble Monte Carlo simulation methods are used to study the structure and phase behavior of Lennard-Jones fluids confined between the parallel (100) planes of the face centered cubic crystal. Thin slit pores with a width allowing for the formation of only up to five atomic layers are considered. The phase diagrams of the systems characterized by different pore width as well as by different strength of the fluid-pore walls potential are determined. It is shown that an enormously large number of different phase diagram topologies can occur, depending on the parameters of the problem (pore width, strength of the fluid-pore walls potential, etc).
巨正则系综和正则系综蒙特卡罗模拟方法被用于研究限制在面心立方晶体平行（100）平面之间的 Lennard-Jones 流体的结构和相行为。考虑了宽度仅允许形成至多五个原子层的薄狭缝孔。确定了以不同孔宽度以及流体 - 孔壁势的不同强度为特征的系统的相图。结果表明，根据问题的参数（孔宽度、流体 - 孔壁势的强度等），可能会出现大量不同的相图拓扑结构。
