超细水盐气溶中的冰结晶:核化,冰溶液平衡和内部结构
Arpa Hudait1, Valeria Molinero
1Department of Chemistry, The University of Utah , 315 South 1400 East, Salt Lake City, Utah 84112-0850, United States.
Journal of the American Chemical Society
|May 14, 2014
概括
分子模拟揭示了冰是如何在微小的水盐气溶中形成的,显示了纯冰和的玻璃相. 这种结构影响大气气溶气候预测.
科学领域:
- 大气化学 大气化学
- 物理化学 物理化学
- 纳米技术 纳米技术
背景情况:
- 大气中的气溶显著影响地球的气候.
- 了解气溶的物理状态和结构对于预测气/水吸收和反应速度至关重要.
- 超细气溶 (3-15纳米) 在热带层和热带层中大量存在.
研究的目的:
- 研究超细水盐气溶的相位行为和内部结构.
- 确定液体,玻璃化和结晶状态对气溶成分的影响.
- 提供关于海喷雾和极地平流层云粒子结构的见解.
主要方法:
- 利用分子模拟来模拟半径从2.5到9.5纳米的气溶.
- 在模拟的水盐气溶中含有高达10%的离子.
- 执行免费能源计算以评估结构稳定性.
主要成果:
- 冰的结晶和玻璃化导致纯水与溶液的相分离.
- 玻璃化结果是共存的纯低密度无形冰纳米域和富含溶液的水性玻璃.
- 冰核形成在纳米粒子表面下均地发生,形成具有冰盖或芯的相分离气溶.
结论:
- 气溶的内部结构是由诸如盐度,结晶程度和颗粒大小等因素决定的.
- 均衡结构 (冰盖与冰芯) 取决于液体-蒸汽表面张力.
- 结果与HNO3水颗粒的实验观测一致,并为了解海喷气气溶提供信息.
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