The hydration of formic acid

被引:100
|
作者
Aloisio, S [1 ]
Hintze, PE [1 ]
Vaida, V [1 ]
机构
[1] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80307 USA
来源
JOURNAL OF PHYSICAL CHEMISTRY A | 2002年 / 106卷 / 02期
关键词
D O I
10.1021/jp012190l
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We examine organic acids as precursors to aerosol formation. We do this by examining the hydration of formic acid with up to three water molecules. This approach starts at the molecular level, providing insight to the first steps of the processes that result in nucleation. Our methodology involves high-level molecular calculations. We present structures and energetics for these species. Using these methods, we predict a cooperative bonding effect that may be present in other aerosol precursors. This methodology also may provide some insight into the hygroscopic growth of these particles. We discuss some possible atmospheric implications of this work.
引用
收藏
页码:363 / 370
页数:8
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