A comment was published on 19 April 2011, see Entropy 2011, 13(4), 915-923.

Entropy 2011, 13(2), 554-569; doi:10.3390/e13020554
Article

Amines in the Earth’s Atmosphere: A Density Functional Theory Study of the Thermochemistry of Pre-Nucleation Clusters

1,* email, 1email, 2email, 1email and 1,3email
Received: 1 January 2011; in revised form: 11 January 2011 / Accepted: 27 January 2011 / Published: 21 February 2011
(This article belongs to the Special Issue Advances in Thermodynamics)
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.
Abstract: The impact of organic species which are present in the Earth’s atmosphere on the burst of new particles is critically important for the understanding of the molecular nature of atmospheric nucleation phenomena. Amines have recently been proposed as possible stabilizers of binary pre-nucleation clusters. In order to advance the understanding of atmospheric nucleation phenomena, a quantum-chemical study of hydrogen-bonded complexes of binary sulfuric acid-water clusters with methyl-, dimethyl- and trimethylamines representing common atmospheric organic species, vegetation products and laboratory impurities has been carried out. The thermochemical stability of the sulfuric acid-amines-water complexes was found to be higher than that of the sulfuric acid-ammonia-water complexes, in qualitative agreement with the previous studies. However, the enhancement in stability due to amines appears to not be large enough to overcome the difference in typical atmospheric concentrations of ammonia and amines. Further research is needed in order to address the existing uncertainties and to reach a final conclusion about the importance of amines for the atmospheric nucleation.
Keywords: amines; thermochemistry; clusters; nucleation precursors; sulfuric acid; water
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MDPI and ACS Style

Nadykto, A.B.; Yu, F.; Jakovleva, M.V.; Herb, J.; Xu, Y. Amines in the Earth’s Atmosphere: A Density Functional Theory Study of the Thermochemistry of Pre-Nucleation Clusters. Entropy 2011, 13, 554-569.

AMA Style

Nadykto AB, Yu F, Jakovleva MV, Herb J, Xu Y. Amines in the Earth’s Atmosphere: A Density Functional Theory Study of the Thermochemistry of Pre-Nucleation Clusters. Entropy. 2011; 13(2):554-569.

Chicago/Turabian Style

Nadykto, Alexey B.; Yu, Fangqun; Jakovleva, Marina V.; Herb, Jason; Xu, Yisheng. 2011. "Amines in the Earth’s Atmosphere: A Density Functional Theory Study of the Thermochemistry of Pre-Nucleation Clusters." Entropy 13, no. 2: 554-569.

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