Institute of Theoretical Physics, Faculty of Physics, University of Warsaw, Warsaw, Poland.
J Chem Phys. 2013 Apr 28;138(16):164506. doi: 10.1063/1.4801329.
The analytic and numerical methods introduced previously to study the phase behavior of hard sphere fluids starting from the Yvon-Born-Green (YBG) equation under the Kirkwood superposition approximation (KSA) are adapted to the square-well fluid. We are able to show conclusively that the YBG equation under the KSA closure when applied to the square-well fluid: (i) predicts the existence of an absolute stability limit corresponding to freezing where undamped oscillations appear in the long-distance behavior of correlations, (ii) in accordance with earlier studies reveals the existence of a liquid-vapor transition by the appearance of a "near-critical region" where monotonically decaying correlations acquire very long range, although the system never loses stability.
前面介绍的分析和数值方法是从 KSA 下的 Yvon-Born-Green（YBG）方程出发，用于研究硬球流体的相行为，现把它们改编为方阱流体。我们可以明确地证明，当 KSA 封闭应用于方阱流体时，YBG 方程：（i）预测存在绝对稳定性极限，对应于冻结，此时相关的长程行为中出现无阻尼的震荡；（ii）与早期研究一致，通过出现“近临界区域”揭示了液-气相变的存在，在这个区域中，单调衰减的相关具有非常长的范围，尽管系统从未失去稳定性。
