摘要
有机酸被认为是大气气溶胶的重要组成部分,是新粒子形成(NPF)过程的重要参与者。作为大气中最简单的芳香有机酸,苯甲酸(BA)被证明具有促进NPF的作用。然而,其在硫酸(SA)和氨(A)驱动的NPF过程中的作用及成核机制目前仍不清楚。基于此,采用密度泛函理论结合大气团簇动力学模型对SA-A-BA体系的成核机制进行了研究。结果表明,BA能够提高SA-A团簇的形成速率,特别是在低温(218.15 K)、高[BA](10^(10) molecules·cm^(-3))、低[SA](10^(6) molecules·cm^(-3))、低[A](10^(7) molecules·cm^(-3))地区。NPF机制表明,在寒冷地区,BA能够作为“参与者”直接参与到SA-A团簇的形成过程中。研究将有助于了解BA在SA-A成核过程中的作用,特别是在工业发达和人口密集的城市区域。
Organic acids are considered important components of atmospheric aerosols and play a significant role in the new particle formation(NPF)process.As the simplest aromatic organic acid in the atmosphere,benzoic acid(BA)has been shown to promote NPF.However,its role and nucleation mechanism in sulfuric acid(SA)and ammonia(A)-driven NPF processes remain unclear.Herein,the nucleation mechanism of the SA-A-BA system was investigated using density functional theory combined with an atmospheric cluster dynamics code.The results show that BA can enhance the formation rate of SA-A clusters,particularly at low temperatures(218.15 K),and in regions with high[BA](10^(10) molecules·cm^(-3)),low[SA](10^(6) molecules·cm^(-3)),and low[A](10^(7) molecules·cm^(-3)).The NPF mechanism suggests that in cold regions,BA can directly participate in the formation of SA-A clusters as a“participant”.This finding contributes to the understanding of the role of BA in the SA-A nucleation process,particularly in industrialized and densely populated urban areas.
作者
陈沙沙
卫书琴
袁佳怡
张梦洁
王睿
张田雷
CHEN Shasha;WEI Shuqin;YUAN Jiayi;ZHANG Mengjie;WANG Rui;ZHANG Tianlei(School of Chemical and Environment Science,Shaanxi University of Technology,Hanzhong 723000,China)
出处
《陕西理工大学学报(自然科学版)》
2025年第3期34-42,共9页
Journal of Shaanxi University of Technology:Natural Science Edition
基金
国家自然科学基金项目(22203052)。
关键词
苯甲酸
形成速率
增强作用
成核机制
benzoic acid
formation rates
enhanced strength
nucleation mechanism
作者简介
通信作者:王睿,女,博士,副教授。
