论文标题
在最小水含酒精混合物模型中的密度异常
Density anomaly in a minimum model of water-alcohol mixtures
论文作者
论文摘要
当将少量溶质添加到混合物中时，我们研究了水样的最大密度（TMD）温度的变化。水被建模为两个长度尺度电位，已知可以表现出水样特征异常，而溶质被选择以与溶剂具有吸引人的相互作用。如果溶质是结构制造商，则TMD随溶质的添加而增加，而如果是结构破裂，则TMD会减小。在精确的一个维模型中，以及在三个维度中使用分子动力学，我们表明代表结构制造商的必要成分都是强大的溶质溶剂吸引力。
We study the change in the temperature of maximum density (TMD) of a water-like solvent when small amounts of solute are added to the mixture. The water is modeled as a two length scales potential, which is known to exhibit water-like characteristic anomalies, while the solute is chosen to have an attractive interaction with the solvent. If the solute is a structure maker the TMD increases with the addition of solute, while if it is a structure breaker the TMD decreases. Both in an exact one dimensional model and using molecular dynamics in three dimensions we show that the necessary ingredient to represent structure makers is a strong solute-solvent attraction.
