本文采用分子动力学方法对水蒸气在纳米硅固体颗粒上的异质核化过程进行了研究.氩原子作为载气,与水蒸气进行热量交换,带走水蒸气核化释放的热量;模拟系综初始温度为450 K,载气温度恒定为200 K.结果表明,核化初期小团簇由几个水分子组成,然后小团簇聚并形成大团簇,核化在纳米固体颗粒上的团簇为最大团簇.通过对比发现,异质核化系综内纳米固体颗粒能够促使核化发生,异质核化温度为360 K,高于353 K的均质核化温度.根据团簇分析,在同等条件下水蒸气异质核化率与均质核化率数量级相同,比理论预测值低一个数量级.
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