Competing evaporation and condensation processes during the boiling of methane.
Competing evaporation and condensation processes during the boiling of methane.
复制标题
甲烷沸腾过程中竞争的蒸发和冷凝过程。
DOI：
--
复制
发表时间：
2006
影响因子：
3.3
通讯作者：
D. Zahn
中科院分区：
文献类型：
--
作者：
D. Zahn
从分子动力学模拟中探索了甲烷沸腾的原子机制。液体->蒸汽转变是由局部密度波动引发的，导致纳米尺寸的域，其表现出液体和蒸汽特性。尽管该地区的蒸发和凝结事件的速率急剧增加，但总体平衡仅显示出边际净蒸发速率。的前临界域的增长导致成核的气相中，孤立的甲烷分子被限制的液体-蒸气界面。在越过过渡态后，系统经历液相的渐进不稳定，蒸发过程明显多于冷凝事件。
The atomistic mechanism of the boiling of methane is explored from molecular dynamics simulations. The liquid --> vapor transition is initiated by local density fluctuations resulting in a nanometer-sized domain that exhibits both liquid and vapor characteristics. Though the rates of evaporation and condensation events increase dramatically in this area, the overall balance exhibits only a marginal net rate of evaporation. Growth of the precritical domain leads to the nucleation of a vapor phase in which isolated methane molecules are confined by a liquid-vapor interface. After crossing the transition state, the system experiences progressive destabilization of the liquid phase and the evaporation processes clearly outnumber the condensation events.