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Entropy 2015, 17(5), 2764-2780; doi:10.3390/e17052764

Estimating the Lower Limit of the Impact of Amines on Nucleation in the Earth’s Atmosphere

1
State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012, China
2
Atmospheric Science Research Center, State University of New York at Albany, 251 Fuller Road, Albany, NY 12203, USA
3
Department of Applied Mathematics, Moscow State University of Technology "Stankin", Vadkovsky per. 1, Moscow 127055, Russia
*
Author to whom correspondence should be addressed.
Academic Editor: Kevin H. Knuth
Received: 27 January 2015 / Revised: 16 April 2015 / Accepted: 20 April 2015 / Published: 30 April 2015
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Abstract

Amines, organic derivatives of NH3, are important common trace atmospheric species that can enhance new particle formation in the Earth’s atmosphere under favorable conditions. While methylamine (MA), dimethylamine (DMA) and trimethylamine (TMA) all efficiently enhance binary nucleation, MA may represent the lower limit of the enhancing effect of amines on atmospheric nucleation. In the present paper, we report new thermochemical data concerning MA-enhanced nucleation, which were obtained using the DFT PW91PW91/6-311++G (3df, 3pd) method, and investigate the enhancement in production of stable pre-nucleation clusters due to the MA. We found that the MA ternary nucleation begins to dominate over ternary nucleation of sulfuric acid, water and ammonia at [MA]/[NH3] > ~10−3. This means that under real atmospheric conditions ([MA] ~ 1 ppt, [NH3] ~ 1 ppb) the lower limit of the enhancement due to methylamines is either close to or higher than the typical effect of NH3. A very strong impact of the MA is observed at low RH; however it decreases quickly as the RH grows. Low RH and low ambient temperatures were found to be particularly favorable for the enhancement in production of stable sulfuric acid-water clusters due to the MA. View Full-Text
Keywords: new particle formation; amines; ammonia; nucleation; DFT; thermochemistry new particle formation; amines; ammonia; nucleation; DFT; thermochemistry
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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MDPI and ACS Style

Nadykto, A.B.; Herb, J.; Yu, F.; Xu, Y.; Nazarenko, E.S. Estimating the Lower Limit of the Impact of Amines on Nucleation in the Earth’s Atmosphere. Entropy 2015, 17, 2764-2780.

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