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-  2016 

离子诱导水蒸气核化过程的分子动力学模拟
Molecular dynamics simulation of water vapor nucleation induced by ions

DOI: 10.7523/j.issn.2095-6134.2016.02.013

Keywords: 团簇,离子,核化,分子动力学
cluster
,ions,nucleation,molecular dynamics

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Abstract:

摘要 大气中的离子对水蒸气核化过程影响很大.本文采用分子动力学方法模拟水蒸气均相核化和离子诱导核化.利用模拟结果分析不同离子带电量对水蒸气核化过程的影响.结果显示,3种情况模拟过程均经历3个阶段:诱导阶段、稳定核化阶段和聚并阶段.离子存在时,水蒸气成核过程诱导阶段缩短,核化速率增大,临界团簇尺寸减小,核化更容易发生.正二价离子比正一价离子对核化过程的影响更大.最后,利用团簇微观结构解释了模拟结果.

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