Longone P, Dávila M, Ramirez-Pastor A J
Departamento de Física, Instituto de Física Aplicada, Universidad Nacional de San Luis-CONICET, Chacabuco 917, D5700BWS San Luis, Argentina.
Phys Rev E Stat Nonlin Soft Matter Phys. 2012 Jan;85(1 Pt 1):011136. doi: 10.1103/PhysRevE.85.011136. Epub 2012 Jan 20.
The phase behavior of interacting rigid rods of length k (k-mers) on two-dimensional square and triangular lattices has been studied by theoretical calculations in the framework of the lattice-gas model. The process was analyzed by comparing the dependence on coverage of the free energy per site of an isotropic submonolayer of interacting k-mers f(iso)(θ) with that corresponding to a fully aligned (nematic) system f(nem)(θ). The existence of an intersection point between the curves f(iso)(θ) and f(nem)(θ), which is indicative of the occurrence of an isotropic-nematic phase transition in the adlayer, allowed us to obtain the complete (temperature, coverage, k-mer size) phase diagram of the system.
在晶格气体模型框架下，通过理论计算研究了长度为k（k聚体）的相互作用刚性棒在二维正方形和三角形晶格上的相行为。通过比较相互作用k聚体的各向同性亚单层每格点自由能f(iso)(θ)与完全排列（向列相）系统对应的自由能f(nem)(θ)对覆盖率的依赖性来分析该过程。f(iso)(θ)和f(nem)(θ)曲线之间存在交点，这表明吸附层中发生了各向同性 - 向列相转变，由此我们得到了该系统完整的（温度、覆盖率、k聚体尺寸）相图。
