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Author:

Yan Liang (Yan Liang.) | Hui Rong (Hui Rong.) | Ling Liu (Ling Liu.) | Shaobing Zhang (Shaobing Zhang.) | Xiuhui Zhang (Xiuhui Zhang.) | Wenguo Xu (Wenguo Xu.)

Abstract:

Marine aerosols play an important role in the global aerosol system.In polluted coastal regions,ultra-fine particles have been recognized to be related to iodine-containing species and is more serious due to the impact of atmospheric pollutants.Many previous studies have identified iodine pentoxide(I2O5,IP)to be the key species in new particles formation(NPF)in marine regions,but the role of IP in the polluted coastal atmosphere is far to be fully understood.Considering the high humidity and concentrations of pollutants in the polluted coastal regions,the gas-phase hydration of IP catalyzed by sulfuric acid(SA),nitric acid(NA),dimethylamine(DMA),and ammonia(A)have been investigated at DLPNO-CCSD(T)//ωB97X-D/aug-cc-pVTZ+aug-cc-pVTZ-PP with ECP28MDF(for iodine)level of theory.The results show that the hydration of IP involves a significant energy barrier of 22.33 kcal/mol,while the pollutants SA,NA,DMA,and A all could catalyze the hydration of IP.Especially,with SA and DMA as catalysts,the hydration reactions of IP present extremely low barriers and high rate constants.It is suggested that IP is unstable under the catalysis of SA and DMA to generate iodic acid,which is the key component in NPF in marine regions.Thus,the catalytic hydration of IP is very likely to trigger the formation of iodine-containing particles.Our research provides a clear picture of the catalytic hydration of IP as well as theoretical guidance for NPF in the polluted coastal atmosphere.

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Author Community:

  • [ 1 ] [Xiuhui Zhang]北京工业大学
  • [ 2 ] [Wenguo Xu]北京工业大学
  • [ 3 ] [Yan Liang]北京工业大学
  • [ 4 ] [Shaobing Zhang]北京工业大学
  • [ 5 ] [Ling Liu]北京工业大学
  • [ 6 ] [Hui Rong]北京工业大学

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Source :

环境科学学报(英文版)

ISSN: 1001-0742

Year: 2022

Issue: 4

Volume: 114

Page: 412-421

6 . 9

JCR@2022

6 . 9 0 0

JCR@2022

ESI Discipline: ENVIRONMENT/ECOLOGY;

ESI HC Threshold:47

JCR Journal Grade:1

CAS Journal Grade:2

Cited Count:

WoS CC Cited Count: 0

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count: -1

Chinese Cited Count:

30 Days PV: 10

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