A theoretical study of the gas-phase reactions of propadiene with NO<sub>3</sub>: mechanism, kinetics and insights-Reference-Cited by-同舟云学术

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A theoretical study of the gas-phase reactions of propadiene with NO₃: mechanism, kinetics and insights

Published:2023 Issue:31 Volume:13 Page:21383-21392
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Wang Haomin¹,Zhao Meilian²,Zuo Qiwen¹,Liu Mingxing¹,He Xinyu¹,Wang Zhiguo¹,Sun Yuxi¹,Song Ruojing¹,Zhang Yunju¹^ORCID

Affiliation:

1. Key Laboratory of Photoinduced Functional Materials, Key Laboratory of Inorganic Materials Preparation and Synthesis, Mianyang Normal University, Mianyang 621000, PR China

2. School of Public Health, Chengdu University of Traditional Chinese Medicine, ChengDu, PR China

Abstract

In this study, the conversion mechanisms and kinetics of propadiene (CH2CCH2) induced by NO3 were researched using density functional theory (DFT) and transition state theory (TST) measurements.

Funder

National Natural Science Foundation of China

Mianyang Normal University

Sichuan Province Science and Technology Support Program

Beijing Technology and Business University

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/RA/D3RA02523C

Reference48 articles.

1. Measurement of nitrate radical concentrations in continental air

2. P.Warneck , Chemistry of the Natural Atmosphere , San Diego , Academic Press , 2nd ed., 2000

3. Atmospheric chemistry of VOCs and NOx

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