Interaction of oxalic acid with dimethylamine and its atmospheric implications

作者: Jiao Chen , Shuai Jiang , Yi-Rong Liu , Teng Huang , Chun-Yu Wang

DOI: 10.1039/C6RA27945G

关键词:

摘要: Oxalic acid, which is one of the most common dicarboxylic acids, expected to be an important component atmospheric aerosols. However, contribution oxalic acid generation new particles still poorly understood. In this study, structural characteristics and thermodynamics (C2H2O4)(CH3NH2)n (n = 1–4) were investigated at PW91PW91/6-311++G(3df,3pd) level theory. We found that clusters formed by methylamine are relatively stable, more atoms participating in formation a ring-like structure, stable cluster. addition, via analysis relevance, it can revealed have noteworthy concentration atmosphere, indicates these could particle formation. Moreover, comparison with (H2C2O4)(NH3)n 1–6) species, seen readily bound than ammonia, promotes nucleation or Finally, Rayleigh scattering properties for first time determine their implications.

参考文章(129)
M. Kulmala, How Particles Nucleate and Grow Science. ,vol. 302, pp. 1000- 1001 ,(2003) , 10.1126/SCIENCE.1090848
S. Lovejoy, H. Gaonac'h, D. Schertzer, Bubble distributions and dynamics: The expansion-coalescence equation Journal of Geophysical Research: Solid Earth. ,vol. 109, ,(2004) , 10.1029/2003JB002823
D. R. Hanson, Measurement of prenucleation molecular clusters in the NH3, H2SO4, H2O system Journal of Geophysical Research. ,vol. 107, pp. 4158- ,(2002) , 10.1029/2001JD001100
Jian Wang, Anthony S. Wexler, Adsorption of organic molecules may explain growth of newly nucleated clusters and new particle formation Geophysical Research Letters. ,vol. 40, pp. 2834- 2838 ,(2013) , 10.1002/GRL.50455
Jiao Chen, Shuai Jiang, Shou-Kui Miao, Xiu-Qiu Peng, Yan Ma, Chun-Yu Wang, Miao-Miao Zhang, Yi-Rong Liu, Wei Huang, On the properties and atmospheric implication of amine-hydrated clusters RSC Advances. ,vol. 5, pp. 91500- 91515 ,(2015) , 10.1039/C5RA11462D
Shou-Kui Miao, Shuai Jiang, Jiao Chen, Yan Ma, Yu-Peng Zhu, Yang Wen, Miao-Miao Zhang, Wei Huang, Hydration of a sulfuric acid–oxalic acid complex: acid dissociation and its atmospheric implication RSC Advances. ,vol. 5, pp. 48638- 48646 ,(2015) , 10.1039/C5RA06116D
W. A. Glasoe, K. Volz, B. Panta, N. Freshour, R. Bachman, D. R. Hanson, P. H. McMurry, C. Jen, Sulfuric acid nucleation: An experimental study of the effect of seven bases Journal of Geophysical Research. ,vol. 120, pp. 1933- 1950 ,(2015) , 10.1002/2014JD022730
Stephen Smith, Ralf Toumi, Direct observation of cloud forcing by ground-based thermal imaging Geophysical Research Letters. ,vol. 35, pp. n/a- n/a ,(2008) , 10.1029/2008GL033201
Zhen-Long Lv, Kai Xu, Yan Cheng, Xiang-Rong Chen, Ling-Cang Cai, Ab initio investigation of the lower energy candidate structures for (H2O)5+ water cluster Journal of Chemical Physics. ,vol. 141, pp. 054309- ,(2014) , 10.1063/1.4891721