Modeling the interaction of nitrate anions with ozone and atmospheric moisture

doi:10.1088/1674-1056/24/10/103601

中国物理B ›› 2015, Vol. 24 ›› Issue (10): 103601-103601.doi: 10.1088/1674-1056/24/10/103601

• ATOMIC AND MOLECULAR PHYSICS • 上一篇下一篇

Modeling the interaction of nitrate anions with ozone and atmospheric moisture

A. Y. Galashev

Institute of High Temperature Electrochemistry, Ural Branch, Russian Academy of Sciences, Yekaterinburg, Russia

收稿日期:2015-04-28 修回日期:2015-06-08 出版日期:2015-10-05 发布日期:2015-10-05

Modeling the interaction of nitrate anions with ozone and atmospheric moisture

A. Y. Galashev

Institute of High Temperature Electrochemistry, Ural Branch, Russian Academy of Sciences, Yekaterinburg, Russia

Received:2015-04-28 Revised:2015-06-08 Online:2015-10-05 Published:2015-10-05
Contact: A. Y. Galashev E-mail:alexander-galashev@yandex.ru

摘要/Abstract

摘要：

The molecular dynamics method is used to investigate the interaction between one-six nitrate anions and water clusters absorbing six ozone molecules. The infrared (IR) absorption and reflection spectra are reshaped significantly, and new peaks appear at Raman spectra due to the addition of ozone and nitrate anions to the disperse water system. After ozone and nitrate anions are captured, the average (in frequency) IR reflection coefficient of the water disperse system increased drastically and the absorption coefficient fell.

关键词: nitrate ion, ozone, water cluster, infrared and Raman spectra

Abstract:

Key words: nitrate ion, ozone, water cluster, infrared and Raman spectra

中图分类号: (Spectroscopy and geometrical structure of clusters)

36.40.Mr

36.20.Ng (Vibrational and rotational structure, infrared and Raman spectra) 92.70.Cp (Atmosphere) 92.70.Er (Biogeochemical processes)

A. Y. Galashev. Modeling the interaction of nitrate anions with ozone and atmospheric moisture[J]. 中国物理B, 2015, 24(10): 103601-103601.

A. Y. Galashev. Modeling the interaction of nitrate anions with ozone and atmospheric moisture[J]. Chin. Phys. B, 2015, 24(10): 103601-103601.

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Modeling the interaction of nitrate anions with ozone and atmospheric moisture

Modeling the interaction of nitrate anions with ozone and atmospheric moisture

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