Atmospheric implications of hydration on the formation of methanesulfonic acid and methylamine clusters: A theoretical study

甲磺酸 无水的 甲胺 化学 成核 硫酸 相对湿度 分子 湿度 动力学 无机化学 物理化学 热力学 有机化学 量子力学 物理
作者
Dongping Chen,Danfeng Li,Changwei Wang,Yi Luo,Fengyi Liu,Wenliang Wang
出处
期刊:Chemosphere [Elsevier BV]
卷期号:244: 125538-125538 被引量:18
标识
DOI:10.1016/j.chemosphere.2019.125538
摘要

The effect of hydration on the formation mechanism of clusters consisting of methanesulfonic acid (MSA) and methylamine (MA) is investigated by quantum chemistry (Density Functional Theory, DFT) and kinetics simulation (Atmospheric Chemical Dynamic Code, ACDC) methods. The results showed that the process of hydration is favorable from the thermodynamic point of view, and the presence of water molecules can promote proton transfer significantly. Although MA has a significant influence on the formation rate of MSA-based clusters at the parts per trillion (ppt) levels, the effective nucleation of MSA-MA anhydrous clusters hardly seems to occur under common typical atmospheric conditions. The high concentrations of precursors ([MSA] > 6 × 107 molecules·cm-3 and [MA] > 1 ppt or [MSA] > 1 × 106 molecules·cm-3 and [MA] > 100 ppt) is necessary for the effective nucleation of the MSA-MA system. The formation rate of the MSA-MA system is enhanced significantly by hydration. The formation rate increases with the relative humidity (RH) and reached up to a factor of 2700 at RH = 40%. The formation mechanism of the hydrous system is different from the anhydrous system. The formation of (MSA)2 and (MSA)(MA) dimers is the rate-determining step of the anhydrous and hydrous systems, respectively. In addition, the growth pathway of clusters was complicated by low temperature and simplified by high humidity, respectively. In general, although humidity is a very favorable factor for the formation of the MSA-MA system, the involvement of other species (such as sulfuric acid) may be more effective to promote the nucleation of the MSA-MA system under typical atmospheric environment.
最长约 10秒,即可获得该文献文件

科研通智能强力驱动
Strongly Powered by AbleSci AI
更新
PDF的下载单位、IP信息已删除 (2025-6-4)

科研通是完全免费的文献互助平台,具备全网最快的应助速度,最高的求助完成率。 对每一个文献求助,科研通都将尽心尽力,给求助人一个满意的交代。
实时播报
充电宝应助Jay采纳,获得10
1秒前
orixero应助qp采纳,获得10
3秒前
醍醐不醒完成签到 ,获得积分10
4秒前
gaberella完成签到,获得积分10
5秒前
沐晴发布了新的文献求助150
6秒前
LANER完成签到 ,获得积分10
6秒前
7秒前
xmk完成签到 ,获得积分10
8秒前
cindywu完成签到,获得积分10
8秒前
ccc发布了新的文献求助10
8秒前
10秒前
11秒前
12秒前
12秒前
Star1983发布了新的文献求助10
16秒前
16秒前
坚定馒头发布了新的文献求助10
16秒前
项绝义发布了新的文献求助200
17秒前
Supreme发布了新的文献求助10
19秒前
20秒前
20秒前
22秒前
22秒前
22秒前
24秒前
青柠发布了新的文献求助10
24秒前
nannan发布了新的文献求助10
25秒前
26秒前
26秒前
26秒前
TKTK发布了新的文献求助30
26秒前
Stroeve发布了新的文献求助20
27秒前
31秒前
32秒前
33秒前
35秒前
lelelele发布了新的文献求助10
35秒前
36秒前
ZZZ发布了新的文献求助20
36秒前
爱科研发布了新的文献求助50
36秒前
高分求助中
A new approach to the extrapolation of accelerated life test data 1000
ACSM’s Guidelines for Exercise Testing and Prescription, 12th edition 500
‘Unruly’ Children: Historical Fieldnotes and Learning Morality in a Taiwan Village (New Departures in Anthropology) 400
Indomethacinのヒトにおける経皮吸収 400
Phylogenetic study of the order Polydesmida (Myriapoda: Diplopoda) 370
基于可调谐半导体激光吸收光谱技术泄漏气体检测系统的研究 350
Robot-supported joining of reinforcement textiles with one-sided sewing heads 320
热门求助领域 (近24小时)
化学 材料科学 医学 生物 工程类 有机化学 生物化学 物理 内科学 纳米技术 计算机科学 化学工程 复合材料 遗传学 基因 物理化学 催化作用 冶金 细胞生物学 免疫学
热门帖子
关注 科研通微信公众号,转发送积分 3988868
求助须知:如何正确求助?哪些是违规求助? 3531255
关于积分的说明 11253071
捐赠科研通 3269858
什么是DOI,文献DOI怎么找? 1804822
邀请新用户注册赠送积分活动 881994
科研通“疑难数据库(出版商)”最低求助积分说明 809035