Atmospheric physicochemical properties of 2-methylglyceric
acid-sulfuric acid/methanesulfonic acid clusters

Abstract

Abstract: Atmospheric aerosols can affect the climate system of the earth by scattering or absorbing long-wave and short-wave radiation. As one of the aerosol tracers, 2-Methylglyceric acid has been observed frequently in atmospheric observations and nucleation experiments. Sulfuric acid and methanesulfonic acid, as very important aerosol precursors, have also received extensive attention and been widely studied. Therefore, 2-methylglyceric acid-sulfuric acid/methanesulfonic acid clusters were simulated based on the theory level of DF-MP2-F12/VDZ-F12 combined with M06-2X/6-311G(3df,3pd), and their physicochemical properties in the atmosphere were analyzed. The results show that 2-methylglyceric acid-sulfuric acid cluster and 2-methylglyceric acid-methanesulfonic acid cluster have the same Gibbs free energy temperature dependence. 2-Methylglyceric acid-sulfuric acid/methanesulfonic acid clusters will preferentially evaporate 2-methylglyceric acid molecules rather than sulfuric acid/methanesulfonic acid molecules, and the evaporation rate of 2-methylglyceric acid molecules increases rapidly with the increase of the cluster size. In addition, the Rayleigh scattering intensity and polarizability of 2-methylglyceric acid-sulfuric acid/methanesulfonic acid clusters are calculated, which is helpful to understand the influence of the clusters on atmospheric radiation.

Key words: atmospheric aerosol, nucleation, Rayleigh scattering, evaporation rate

CLC Number:

X131.1

ZHAO Feng, FENG Yajuan∗. Atmospheric physicochemical properties of 2-methylglyceric acid-sulfuric acid/methanesulfonic acid clusters[J]. Journal of Atmospheric and Environmental Optics, 2022, 17(2): 213-219.

References 33

[1]	Kulmala M, Vehkamaki H, Pet ¨ aj ¨ a T, ¨ et al. Formation and growth rates of ultrafine atmospheric particles: A review of observations [J]. Journal of Aerosol Science, 2004, 35(2): 143-176.
[2]	Zhang R Y. Getting to the critical nucleus of aerosol formation [J]. Science, 2010, 328(5984): 1366-1367.
[3]	Zhang R Y, Khalizov A, Wang L, et al. Nucleation and growth of nanoparticles in the atmosphere [J]. Chemical Reviews, 2012,
11	2(3): 1957-2011.
[4]	Kulmala M. How particles nucleate and grow [J]. Science, 2003, 302(5647): 1000-1001.
[5]	Aalto P, Hameri K, Becker E, ¨ et al. Physical characterization of aerosol particles during nucleation events [J]. Tellus B:
	Chemical and Physical Meteorology, 2001, 53(4): 344-358.
[6]	Metzger A, Verheggen B, Dommen J, et al. Evidence for the role of organics in aerosol particle formation under atmospheric
	conditions [J]. Proceedings of the National Academy of Sciences of the United States of America, 2010, 107(15): 6646-6651.
[7]	Ehn M, Thornton J A, Kleist E, et al. A large source of low-volatility secondary organic aerosol [J]. Nature, 2014, 506(7489):
47	6-479.
[8]	Turpin B J, Lim H J. Species contributions to PM2:5 mass concentrations: Revisiting common assumptions for estimating
	organic mass [J]. Aerosol Science and Technology, 2001, 35(1): 602-610.
[9]	Cabada J C, Pandis S N, Robinson A L. Sources of atmospheric carbonaceous particulate matter in Pittsburgh, Pennsylvania
[J]	Journal of the Air & Waste Management Association, 2002, 52(6): 732-741.
[10]	Guenther A, Karl T, Harley P, et al. Estimates of global terrestrial isoprene emissions using MEGAN (model of emissions of
	gases and aerosols from nature) [J]. Atmospheric Chemistry and Physics, 2006, 6(11): 3181-3210.
[11]	Claeys M, Graham B, Vas G, et al. Formation of secondary organic aerosols through photooxidation of isoprene [J]. Science,
20	04, 303(5661): 1173-1176.
[12]	Henze D K, Seinfeld J H. Global secondary organic aerosol from isoprene oxidation [J]. Geophysical Research Letters, 2006,
33	(9): L09812.
[13]	Hoyle C R, Berntsen T, Myhre G, et al. Secondary organic aerosol in the global aerosol—chemical transport model Oslo CTM2
[J]	Atmospheric Chemistry and Physics, 2007, 7(21): 5675-5694.
[14]	Edney E O, Kleindienst T E, Jaoui M, et al. Formation of 2-methyl tetrols and 2-methylglyceric acid in secondary organic
	aerosol from laboratory irradiated isoprene/NOX/SO2/air mixtures and their detection in ambient PM2:5 samples collected in
	the eastern United States [J]. Atmospheric Environment, 2005, 39(29): 5281-5289.
[15]	Ion A C, Vermeylen R, Kourtchev I, et al. Polar organic compounds in rural PM2:5 aerosols from K-puszta, Hungary, during a
20	03 summer field campaign: Sources and diel variations [J]. Atmospheric Chemistry and Physics, 2005, 5(7): 1805-1814.
[16]	Nguyen T B, Laskin J, Laskin A, et al. Nitrogen-containing organic compounds and oligomers in secondary organic aerosol
	formed by photooxidation of isoprene [J]. Environmental Science & Technology, 2011, 45(16): 6908-6918.
[17]	Zhang H, Surratt J D, Lin Y H, et al. Effect of relative humidity on SOA formation from isoprene/NO photooxidation:
	Enhancement of 2-methylglyceric acid and its corresponding oligoesters under dry conditions [J]. Atmospheric Chemistry and
	Physics, 2011, 11(13): 6411-6424.
[18]	Ding X, Wang X M, Xie Z Q, et al. Impacts of Siberian biomass burning on organic aerosols over the North Pacific Ocean and
	the Arctic: Primary and secondary organic tracers [J]. Environmental Science & Technology, 2013, 47(7): 3149-3157.
[19]	Hu Q H, Xie Z Q, Wang X M, et al. Secondary organic aerosols over oceans via oxidation of isoprene and monoterpenes from
	Arctic to Antarctic [J]. Scientific Reports, 2013, 3: 2280.
[20]	von Glasow R, Crutzen P J. Model study of multiphase DMS oxidation with a focus on halogens [J]. Atmospheric Chemistry
	and Physics, 2004, 4(3): 589-608.
[21]	Barnes I, Hjorth J, Mihalopoulos N. Dimethyl sulfide and dimethyl sulfoxide and their oxidation in the atmosphere [J]. Chemical Reviews, 2006, 106(3): 940-975.
[22]	Mauldin R L, Cantrell C A, Zondlo M, et al. Measurements of OH, H2SO4, and MSA during tropospheric ozone production
	about the spring equinox (TOPSE) [J]. Journal of Geophysical Research: Atmospheres, 2003, 108(D4): 8366.
[23]	Facchini M C, Decesari S, Rinaldi M, et al. Important source of marine secondary organic aerosol from biogenic amines [J].
	Environmental Science & Technology, 2008, 42(24): 9116-9121.
[24]	Wyslouzil B E, Seinfeld J H, Flagan R C, et al. Binary nucleation in acid-water systems. I. Methanesulfonic acid-water [J].
	The Journal of Chemical Physics, 1991, 94(10): 6827-6841.
[25]	Dall′Osto M, Ceburnis D, Monahan C, et al. Nitrogenated and aliphatic organic vapors as possible drivers for marine secondary
	organic aerosol growth [J]. Journal of Geophysical Research: Atmospheres, 2012, 117(D12): D12311.
[26]	Nishino N, Arquero K D, Dawson M L, et al. Infrared studies of the reaction of methanesulfonic acid with trimethylamine on
	surfaces [J]. Environmental Science & Technology, 2014, 48(1): 323-330.
[27]	Huang W, Pal R, Wang L-M, et al. Isomer identification and resolution in small gold clusters [J]. The Journal of Chemical
	Physics, 2010, 132(5): 054305.
[28]	Liu Y R, Huang T, Jiang S, et al. Theoretical investigation of photoelectron and infrared spectroscopy of hydrated oxalate in
	atmosphere [J]. Chinese Journal of Quantum Electronics, 2016, 33(5): 524-529.
	刘议蓉, 黄腾, 姜帅, 等. 大气中草酸根水合物光电子能谱与红外谱理论研究 [J]. 量子电子学报, 2016, 33(5): 524-529.
[29]	Ge P, Luo G, Luo Y, et al. Molecular understanding of the interaction of amino acids with sulfuric acid in the presence of water
	and the atmospheric implication [J]. Chemosphere, 2018, 210: 215-223.
[30]	Han Y J, Feng Y J, Miao S K, et al. Hydration of 3-hydroxy-4, 4-dimethylglutaric acid with dimethylamine complex and its
	atmospheric implications [J]. Physical Chemistry Chemical Physics, 2018, 20(40): 25780-25791.
[31]	Werner H J, Knowles P J, Knizia G, et al. Molpro: A general-purpose quantum chemistry program package [J]. Wiley Interdisciplinary Reviews: Computational Molecular Science, 2012, 2(2): 242-253.
[32]	McGrath M J, Olenius T, Ortega I K, et al. Atmospheric Cluster Dynamics Code: A flexible method for solution of the
	birth-death equations [J]. Atmospheric Chemistry and Physics, 2012, 12(5): 2345-2355.
[33]	da Silva A M, Chakrabarty S, Chaudhuri P. Hydrogen-bonded glycine-HCN complexes in gas phase: Structure, energetics,
	electric properties and cooperativity [J]. Molecular Physics, 2015, 113(5): 447-462.

Atmospheric physicochemical properties of 2-methylglyceric acid-sulfuric acid/methanesulfonic acid clusters

PDF (PC)

Knowledge

Abstract

Cite this article

share this article

References 33

Related Articles 10

Recommended Articles

Metrics

Comments

[1]	ZHU Sifeng , ZHU Mengyao , QIE Lili , XU Hua , LI Zhengqiang , XIE Yisong , HONG Jin , TU Bihai , MENG Binghuan . Preliminary evaluation of in-flight radiation performance of directional polarimetric camera of Gaofen-5(02) satellite [J]. Journal of Atmospheric and Environmental Optics, 2023, 18(4): 310-322.
[2]	ZHANG Xindan, LI Lei∗, CHEN Cheng, GUI Ke, ZHENG Yu, LIANG Yuanxin, YAO Wenrui, CHE Huizheng. Evaluation of accuracy of aerosol optical and radiative products retrieved by aerosol component method [J]. Journal of Atmospheric and Environmental Optics, 2022, 17(1): 160-170.
[3]	LIANG Baoling, XU Hanbing∗, ZHAO Jun, ∗. Performance Comparison Between a Custom-Made Soft X-Ray Neutralizer and a Commercial Counterpart #br# [J]. Journal of Atmospheric and Environmental Optics, 2020, 15(6): 438-447.
[4]	WANG Yanbing, LIU Yirong∗. Theoretical Study on Mechanism of Nucleation of Phthalic Acid and Sulfuric Acid [J]. Journal of Atmospheric and Environmental Optics, 2020, 15(5): 372-379.
[5]	ZHANG Yang, WEN Hui, LIN Xiao-Xiao, CHEN Jiao. Study of Atmospheric Aerosol Nucleation Mechanism by Organic Acid [J]. Journal of Atmospheric and Environmental Optics, 2018, 13(5): 355-363.
[6]	WEN Zuo-Ying, GU Xue-Jun, RONG Hua, ZHU Yu-Feng, TANG Xiao-Feng, GAI Yan-Bo, HU Chang-Jin, ZHAO Wei-Xiong, ZHANG Wei-Jun. Study of the Process of Aerosol Particle Formation by Ion-Induced Nucleation [J]. Journal of Atmospheric and Environmental Optics, 2016, 11(2): 81-90.
[7]	HUANG Hong-Lian, YI Wei-Ning. Airborne Experiment Demonstration and Data Analysis for Multi-Angle Polarization Detection of Atmospheric Aerosols [J]. Journal of Atmospheric and Environmental Optics, 2015, 10(4): 300-307.
[8]	CHEN Lin, WANG Zhen-Zhu, HU Xiu-Qing, LIU Dong, BO Guang-Yu, ZHANG Peng. Vertical Profile of Atmospheric Aerosol Observed by Lidar in Dunhuang Radiometric Calibration Site [J]. Journal of Atmospheric and Environmental Optics, 2015, 10(4): 323-332.
[9]	YUAN Hong-Wu, FANG Shuai, MEI Hai-Ping, WU Peng-Fei, NI Zhi-Bo, RAO Rui-Zhong. Review of Image Restoration Based on Atmospheric Modulation Transfer Function [J]. Journal of Atmospheric and Environmental Optics, 2010, 5(6): 407-413.
[10]	WU Yong-Hong, HE Xiu, LI Cheng-Cai, LIU Xiao-Yang, WANG Mei-Hua, Lau Kaihon Alexis, MAO Jie-Tai. Application of Remote Sensing Atmospheric Aerosol Optical Depth on Monitoring the Surface Air Quality in 2008 of Beijing [J]. Journal of Atmospheric and Environmental Optics, 2009, 4(4): 266-273.