液相分离气溶的形态
Yuqing Qiu1, Valeria Molinero1
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
|August 1, 2015
概括
这项研究提出了一个热力学模型来预测液体-液体气溶的形态,这对大气化学至关重要. 该模型准确地根据基本物理性质确定气溶结构和接触角度.
科学领域:
- 大气化学与物理
- 物理化学
- 材料科学
背景情况:
- 气溶形态显著影响气体/水的吸收和大气中的异质反应.
- 通过实验区分气溶形态 (例如,核心,部分湿) 和量化界面湿是具有挑战性的.
研究的目的:
- 使用基本物理性质,量化预测液态液相分离气溶的形态.
- 为预测气溶结构和接口接触角度开发热力学模型.
主要方法:
- 最小化自由能量以确定平衡气溶结构.
- 在较大的气溶 (> 100 nm) 中应用扬方程来预测接触角度.
- 用于验证热力学预测和计算线张力的分子模拟.
主要成果:
- 接触角度取决于成分,而不是相量,可从气溶的表面张力>100 nm中预测.
- 对于较小的气溶,形态也取决于线张.
- 该模型准确地预测实验形态,并提供超出实验分辨率的接触角度,对于大气气溶来说很少超过30°.
结论:
- 一个简单的分析方程可以计算液-液滴的接触角度.
- 这种模型有广泛的应用,用于预测大气气溶的形态及其化学影响.
- 热力学预测通过分子模拟得到验证,证实理论和实验线张力值.
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