论文标题
连接熵缩放和密度缩放
Connecting Entropy Scaling and Density Scaling
论文作者
论文摘要
结果表明，残留的熵（熵减去相同温度和密度下的理想气体的熵）主要是密度缩放的自变量的代名词，从而识别这两种方法之间的直接链接。证明两体残留熵不是气相中总残留熵的合适替代物。研究了Lennard-Jones单体和二聚体的残留熵和相互作用的有效硬度（本身是恒定残留熵的衍生物），以及用于二氧化碳的一系列刚性分子模型。观察到密度缩放指数与两体相互作用有关。
It is shown that the residual entropy (entropy minus that of the ideal gas at the same temperature and density) is mostly synonymous with the independent variable of density scaling, identifying a direct link between these two approaches. The two-body residual entropy is demonstrated to not be a suitable surrogate for the total residual entropy in the gas phase. The residual entropy and the effective hardness of interaction (itself a derivative at constant residual entropy) are studied for the Lennard-Jones monomer and dimer as well as a range of rigid molecular models for carbon dioxide. It is observed that the density scaling exponent is related to the two-body interactions.
