堆积障碍在冰核形成中的作用
Laura Lupi1, Arpa Hudait1, Baron Peters2
1Department of Chemistry, The University of Utah, Salt Lake City, Utah 84112-0850, USA.
Nature
|November 10, 2017
概括
经典的核化理论高估了冰的核化速度. 新发现表明堆积不整的冰比六角冰更稳定,影响气候和天气预报.
科学领域:
- 物理化学
- 大气科学
- 材料科学
背景情况:
- 准确的气候和天气预报取决于预测冰核形成的速度.
- 古典核化理论 (CNT) 假设纳米尺寸的晶体具有六角冰结构,这可能不反映现实.
研究的目的:
- 为了研究堆叠不整的冰与六角冰的稳定性.
- 确定冰晶体结构对核化速率和气候建模的影响.
主要方法:
- 使用mW水模型进行罕见事件采样和自由能量计算.
- 分析了多达10万个分子的堆叠无序冰晶体的稳定性.
主要成果:
- 堆积不规则的冰是至少10万个分子的晶体的稳定阶段.
- 在230K时,堆叠无序的关键晶体比六角晶体更稳定14kJ/mol.
- 堆积不整的冰的核化率比CNT的预测高出3个数量级.
结论:
- 古典核化理论需要纠正以考虑冰晶体的尺寸依赖性稳定性.
- 这些发现影响了云形成模型和冰颗粒数量的预测, 尤其是在更高的温度下.
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