Department for the Modelling of Physico-Chemical Processes, M. Curie-Skłodowska University, 20-031 Lublin, Poland.
J Chem Phys. 2011 Nov 21;135(19):194702. doi: 10.1063/1.3660411.
Monte Carlo simulations in the grand canonical ensemble, the multiple-histogram analysis and finite-size scaling techniques have been used to study a phase behavior of trimer BAB on a square lattice. The systems with the same energies u(AA) = u(BB) and different strengths of interactions between unlike segments are considered. The AB-contacts are energetically unprofitable. There are two phase transitions: the first-order vapor-liquid transition and the second-order structural transition in the supercritical fluid. The phase diagram topology depends on the energy u(AB). The crossover between the tricritical point phase diagram topology and the critical end phase diagram topology is found. It is demonstrated that the transition to the ordered strip-like phase is non-universal.
我们使用巨正则系综的蒙特卡罗模拟、多重直方图分析和有限尺寸标度技术研究了方格子上三聚体 BAB 的相行为。我们考虑了能量 u(AA) = u(BB)相同但不同片段之间相互作用强度不同的系统。AB 接触在能量上是不利的。存在两个相转变：超临界流体中的一级汽-液转变和二级结构转变。相图拓扑取决于能量 u(AB)。我们发现了从三临界点相图拓扑到临界点相图拓扑的交叉。结果表明，有序带状相的转变是非普适的。
