微水滴的物理化学

IF 4.5 2区 化学 Q2 CHEMISTRY, PHYSICAL The Journal of Physical Chemistry Letters Pub Date : 2025-03-26 DOI:10.1021/acs.jpclett.5c00434
Agustín J. Colussi
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引用次数: 0

摘要

数量级的反应加速度和雾化水微滴中H2O2的形成正在寻找解释。这些过程并不像一般认为的那样完全是自发的,因为在它们之前有水的强制雾化。它们也不是由内部电场引起的,因为化学反应的电激活需要与过渡态偶极子矢量对齐的外部静态场。H2O2的形成是由于低密度界面水中的HO -和H+离子的部分脱水,这一过程提高了它们的自由生成能,并提高了散装水中先决电子转移HO - + H+ = HO•+ H•的能。单分子反应加速度的缺乏表明,双分子反应的加速是由于分子相遇的频率更高,过渡态的再交叉更少,以及在界面中与体积水相比,扩大溶剂腔以保持其过渡态的熵损失更小。
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Physical Chemistry of Water Microdroplets
Orders-of-magnitude reaction accelerations and the formation of H2O2 in aerosolized water microdroplets are in search of explanation. These processes are not overall spontaneous as generally assumed because they are preceded by the forced aerosolization of water. Nor are they caused by internal electric fields because the electrical activation of chemical reactions requires external static fields vectorially aligned with transition state dipoles. The formation of H2O2 is enabled by the partial dehydration of HO and H+ ions in low-density interfacial water, a process that raises their free energies of formation and lifts the endoergicity of the prerequisite electron transfer HO + H+ = HO + H in bulk water. The lack of unimolecular reaction accelerations suggests the accelerations of bimolecular reactions are due to the higher frequencies of molecular encounters, fewer transition state recrossings, and smaller entropy losses for expanding solvent cavities to hold their transition states in interfacial vs bulk water.
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来源期刊
The Journal of Physical Chemistry Letters
The Journal of Physical Chemistry Letters CHEMISTRY, PHYSICAL-NANOSCIENCE & NANOTECHNOLOGY
CiteScore
9.60
自引率
7.00%
发文量
1519
审稿时长
1.6 months
期刊介绍: The Journal of Physical Chemistry (JPC) Letters is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, chemical physicists, physicists, material scientists, and engineers. An important criterion for acceptance is that the paper reports a significant scientific advance and/or physical insight such that rapid publication is essential. Two issues of JPC Letters are published each month.
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