Caillol J-M, Levesque D
Laboratoire de Physique Théorique, UMR 8627, Bâtiment 210 and Univ. Paris-Sud and CNRS, Orsay F-91405, France.
J Chem Phys. 2014 Jun 7;140(21):214505. doi: 10.1063/1.4880239.
We present a Monte Carlo study of the liquid-vapor transition and the critical behavior of a model of polyelectrolytes with soft Gaussian charge distributions introduced recently by Coslovich, Hansen, and Kahl [J. Chem. Phys. 134, 244514 (2011)]. A finite size study involving four different volumes in the grand canonical ensemble yields a precise determination of the critical temperature, chemical potential, and density of the model. Attempts to determine the nature of the criticality and to obtain reliable values for the critical exponents are not conclusive.
我们对最近由科斯洛维奇、汉森和卡尔[《化学物理杂志》134, 244514 (2011)]提出的具有软高斯电荷分布的聚电解质模型的液-气转变和临界行为进行了蒙特卡罗研究。在巨正则系综中涉及四个不同体积的有限尺寸研究精确确定了该模型的临界温度、化学势和密度。确定临界性的性质并获得临界指数可靠值的尝试尚无定论。
