摘要
空气中的细颗粒物(PM_(2.5))是一种主要的空气污染物,在低层大气中携带多种有毒污染物,对区域空气质量、人类健康、气候和各种人类活动构成严重威胁。矿尘作为大气中广泛存在的颗粒物,它是西北干旱或半干旱地区的PM_(2.5)的主要成分,其中矿尘主要由SiO_(2)组成。因此,VOC基于羟化SiO_(2)核的二次气溶胶SOA的形成机理具有重要意义。本文在之前的SOA形成的量化研究工作基础上构建了VOCs-羟化SiO_(2)界面模型,使用分子动力学方法对VOC在界面的吸附行为展开了一系列的研究.最终获得了VOC与羟化SiO_(2)表面间的有效作用参数Tg和VOC扩散系数D与FAC之间的量化关系。
Fine airborne particulate matter(PM_(2.5))is a major air pollutant that carries a variety of toxic pollutants in the lower atmosphere and poses a serious threat to regional air quality,human health,climate,and various human activities.As a widespread particulate matter in the atmosphere,the mineral dust is the main component of PM_(2.5)in arid or semi-arid regions of Northwest China,where it is mainly composed of SiO.Therefor,it is necessary to study the formation mechanism of secondary aerosol SOA based on hydroxylated SiO_(2)nuclei.In this paper,based on our previews work,VOCs-hydroxylated SiO_(2)interface models were constructed,and a series of investigation on the adsorption behavior of VOC at the interface were carried out using molecular dynamics methods.Finally,the quantization relationship between Fractional Aerosol coefficient(FAC)and the bivariate variables of the valid interaction Tg and VOC diffusion coefficient D was obtained.
作者
刘瑶泽
潘茁
张鹏洋
张春春
陈军宪
LIU Yao-ze;PAN Zhuo;ZHANG Peng-yang;ZHANG Chun-chun;CHEN Jun-xian(Key Laboratory of General Chemistry of the National Ethnic Affairs Commission,School of Chemistry and Environment,Southwest Minzu University,Chengdu 610041,China;Analytical&Testing Center,Sichuan University,Chengdu 610064,China)
出处
《化学研究与应用》
CAS
北大核心
2023年第9期2197-2204,共8页
Chemical Research and Application
基金
中央高校项目(2021PTJS25)资助。
