Kumar Amit, Kumar Pradeep
Department of Chemistry, Malaviya National Institute of Technology Jaipur, Jaipur, 302017,India.
J Phys Chem A. 2023 Nov 30;127(47):10016-10025. doi: 10.1021/acs.jpca.3c02854. Epub 2023 Nov 15.
Ozone is a major source of OH radicals in the troposphere. It is well-known that photodissociation of ozone is key for the conversion of ozone into OH radicals. In the present study, using Born-Oppenheimer molecular dynamics simulation, we have shown that on the surface of the droplet and ice, ozone can dissociate without light. In addition, the dissociation time of ozone is found to be much less on the ice surface than the same time on the water droplet. As the dissociation of ozone on the water surface can happen during the day as well as in the night time, we believe this route of forming OH radicals can be even more important than the photodissociation. The present study suggests that the cloud and ice surface can enhance the oxidizing power of the troposphere.
臭氧是对流层中羟基自由基的主要来源。众所周知，臭氧的光解是臭氧转化为羟基自由基的关键。在本研究中，通过玻恩-奥本海默分子动力学模拟，我们表明在液滴和冰的表面，臭氧可以在无光的情况下分解。此外，发现臭氧在冰表面的分解时间比在水滴表面的分解时间短得多。由于臭氧在水面上的分解白天和夜间都可能发生，我们认为这种形成羟基自由基的途径可能比光解更为重要。本研究表明，云层和冰表面可以增强对流层的氧化能力。
