Articles | Volume 23, issue 12
https://doi.org/10.5194/acp-23-6863-2023
© Author(s) 2023. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/acp-23-6863-2023
© Author(s) 2023. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
21 Jun 2023
Research article |
| 21 Jun 2023
| 21 Jun 2023
Saturation vapor pressure characterization of selected low-volatility organic compounds using a residence time chamber
Department of Technical Physics, University of Eastern Finland,
Kuopio, Finland
International Laboratory for Air Quality and Health, School of Earth and Atmospheric Sciences, Queensland University of Technology, Brisbane, Australia
Noora Hyttinen
Department of Chemistry, Nanoscience Center, University of
Jyväskylä, Jyväskylä, Finland
Miika Vainikka
Department of Technical Physics, University of Eastern Finland,
Kuopio, Finland
Olli-Pekka Tikkasalo
Natural Resources Institute Finland (Luke), Helsinki, Finland
Siegfried Schobesberger
Department of Technical Physics, University of Eastern Finland,
Kuopio, Finland
Taina Yli-Juuti
CORRESPONDING AUTHOR
Department of Technical Physics, University of Eastern Finland,
Kuopio, Finland
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This study presents a detailed analysis of the OH-initiated oxidation of dimethyl sulfide (DMS) based on experiments performed in the Aarhus University Research on Aerosol (AURA) smog chamber and the gas- and particle-phase chemistry kinetic multilayer model (ADCHAM). We capture the formation, growth and chemical composition of aerosols in the chamber setup by an improved multiphase oxidation mechanism and utilize our results to reproduce the important role of DMS in the marine boundary layer.
Arttu Ylisirniö, Luis M. F. Barreira, Iida Pullinen, Angela Buchholz, John Jayne, Jordan E. Krechmer, Douglas R. Worsnop, Annele Virtanen, and Siegfried Schobesberger
Atmos. Meas. Tech., 14, 355–367, https://doi.org/10.5194/amt-14-355-2021, https://doi.org/10.5194/amt-14-355-2021, 2021
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FIGAERO-ToF-CIMS enables online volatility measurements of chemical compounds in ambient aerosols. Previously published volatility calibration results however differ from each other significantly. In this study we investigate the reason for this discrepancy. We found a major source of error in the widely used syringe deposition method and propose a new method for volatility calibration by using atomized calibration compounds.
Noora Hyttinen, Reyhaneh Heshmatnezhad, Jonas Elm, Theo Kurtén, and Nønne L. Prisle
Atmos. Chem. Phys., 20, 13131–13143, https://doi.org/10.5194/acp-20-13131-2020, https://doi.org/10.5194/acp-20-13131-2020, 2020
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We present aqueous solubilities and activity coefficients of mono- and dicarboxylic acids (C1–C6 and C2–C8, respectively) estimated using the COSMOtherm program. In addition, we have calculated effective equilibrium constants of dimerization and hydration of the same acids in the condensed phase. We were also able to improve the agreement between experimental and estimated properties of monocarboxylic acids in aqueous solutions by including clustering reactions in COSMOtherm calculations.
Santtu Mikkonen, Zoltán Németh, Veronika Varga, Tamás Weidinger, Ville Leinonen, Taina Yli-Juuti, and Imre Salma
Atmos. Chem. Phys., 20, 12247–12263, https://doi.org/10.5194/acp-20-12247-2020, https://doi.org/10.5194/acp-20-12247-2020, 2020
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We determined decennial statistical time trends and diurnal statistical patterns of atmospheric particle number concentrations in various relevant size fractions in the city centre of Budapest in an interval of 2008–2018. The mean overall decrease rate of particles in different size fractions was approximately −5 % scaled for the 10-year measurement interval. The decline can be interpreted as a consequence of the decreased anthropogenic emissions in the city.
Martin Heinritzi, Lubna Dada, Mario Simon, Dominik Stolzenburg, Andrea C. Wagner, Lukas Fischer, Lauri R. Ahonen, Stavros Amanatidis, Rima Baalbaki, Andrea Baccarini, Paulus S. Bauer, Bernhard Baumgartner, Federico Bianchi, Sophia Brilke, Dexian Chen, Randall Chiu, Antonio Dias, Josef Dommen, Jonathan Duplissy, Henning Finkenzeller, Carla Frege, Claudia Fuchs, Olga Garmash, Hamish Gordon, Manuel Granzin, Imad El Haddad, Xucheng He, Johanna Helm, Victoria Hofbauer, Christopher R. Hoyle, Juha Kangasluoma, Timo Keber, Changhyuk Kim, Andreas Kürten, Houssni Lamkaddam, Tiia M. Laurila, Janne Lampilahti, Chuan Ping Lee, Katrianne Lehtipalo, Markus Leiminger, Huajun Mai, Vladimir Makhmutov, Hanna Elina Manninen, Ruby Marten, Serge Mathot, Roy Lee Mauldin, Bernhard Mentler, Ugo Molteni, Tatjana Müller, Wei Nie, Tuomo Nieminen, Antti Onnela, Eva Partoll, Monica Passananti, Tuukka Petäjä, Joschka Pfeifer, Veronika Pospisilova, Lauriane L. J. Quéléver, Matti P. Rissanen, Clémence Rose, Siegfried Schobesberger, Wiebke Scholz, Kay Scholze, Mikko Sipilä, Gerhard Steiner, Yuri Stozhkov, Christian Tauber, Yee Jun Tham, Miguel Vazquez-Pufleau, Annele Virtanen, Alexander L. Vogel, Rainer Volkamer, Robert Wagner, Mingyi Wang, Lena Weitz, Daniela Wimmer, Mao Xiao, Chao Yan, Penglin Ye, Qiaozhi Zha, Xueqin Zhou, Antonio Amorim, Urs Baltensperger, Armin Hansel, Markku Kulmala, António Tomé, Paul M. Winkler, Douglas R. Worsnop, Neil M. Donahue, Jasper Kirkby, and Joachim Curtius
Atmos. Chem. Phys., 20, 11809–11821, https://doi.org/10.5194/acp-20-11809-2020, https://doi.org/10.5194/acp-20-11809-2020, 2020
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With experiments performed at CLOUD, we show how isoprene interferes in monoterpene oxidation via RO2 termination at atmospherically relevant concentrations. This interference shifts the distribution of highly oxygenated organic molecules (HOMs) away from C20 class dimers towards C15 class dimers, which subsequently reduces both biogenic nucleation and early growth rates. Our results may help to understand the absence of new-particle formation in isoprene-rich environments.
Olli-Pekka Tikkanen, Angela Buchholz, Arttu Ylisirniö, Siegfried Schobesberger, Annele Virtanen, and Taina Yli-Juuti
Atmos. Chem. Phys., 20, 10441–10458, https://doi.org/10.5194/acp-20-10441-2020, https://doi.org/10.5194/acp-20-10441-2020, 2020
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We compared the volatility distributions of secondary organic aerosol (SOA) constituents estimated from isothermal evaporation experiments from either particle size change data, by process modelling and global optimization, or from mass spectrometer data with positive matrix factorization analysis. Our results show that, despite the two very different estimation methods, the volatility distributions are comparable if uncertainties are taken into account.
Cited articles
Babar, Z. B., Ashraf, F., Park, J.-H., and Lim, H.-J.: Volatility parameters of secondary organic aerosol components determined using a thermal denuder, Atmos. Environ., 226, 117405, https://doi.org/10.1016/j.atmosenv.2020.117405, 2020.
Barone, G., Della Gatta, G., Ferro, D., and Piacente, V.: Enthalpies and
entropies of sublimation, vaporization and fusion of nine polyhydric
alcohols, Journal of the Chemical Society, Faraday Transactions, 86, 75–79,
1990.
Bianchi, F., Kurten, T., Riva, M., Mohr, C., Rissanen, M. P., Roldin, P.,
Berndt, T., Crounse, J. D., Wennberg, P. O., Mentel, T. F., Wildt, J.,
Junninen, H., Jokinen, T., Kulmala, M., Worsnop, D. R., Thornton, J. A.,
Donahue, N., Kjaergaard, H. G., and Ehn, M.: Highly oxygenated organic
molecules (HOM) from gas-phase autoxidation involving peroxy radicals: A key
contributor to atmospheric aerosol, Chem. Rev., 119,
3472–3509, https://doi.org/10.1021/acs.chemrev.8b00395, 2019.
Bilde, M., Svenningsson, B., Mønster, J., and Rosenørn, T.: Even- odd
alternation of evaporation rates and vapor pressures of C3–C9
dicarboxylic acid aerosols, Environ. Sci. Technol., 37,
1371–1378, 2003.
Bilde, M., Barsanti, K., Booth, M., Cappa, C. D., Donahue, N. M.,
Emanuelsson, E. U., McFiggans, G., Krieger, U. K., Marcolli, C., Topping,
D., Ziemann, P., Barley, M., Clegg, S., Dennis-Smither, B., Hallquist, M.,
Hallquist, A. M., Khlystov, A., Kulmala, M., Mogensen, D., Percival, C. J.,
Pope, F., Reid, J. P., Ribeiro da Silva, M. A., Rosenoern, T., Salo, K.,
Soonsin, V. P., Yli-Juuti, T., Prisle, N. L., Pagels, J., Rarey, J.,
Zardini, A. A., and Riipinen, I.: Saturation vapor pressures and transition
enthalpies of low-volatility organic molecules of atmospheric relevance:
From dicarboxylic acids to complex mixtures, Chem. Rev., 115, 4115–4156, https://doi.org/10.1021/cr5005502, 2015.
BIOVIA COSMOconf: 2021, Dassault Systèmes, http://www.3ds.com, last access: 29 January 2021.
BIOVIA COSMOtherm: Release 2021, Dassault Systèmes, http://www.3ds.com, last access: 1 April 2021.
Booth, A. M., Markus, T., McFiggans, G., Percival, C. J., Mcgillen, M. R., and Topping, D. O.: Design and construction of a simple Knudsen Effusion Mass Spectrometer (KEMS) system for vapour pressure measurements of low volatility organics, Atmos. Meas. Tech., 2, 355–361, https://doi.org/10.5194/amt-2-355-2009, 2009.
Bruns, E. A., Greaves, J., and Finlayson-Pitts, B. J.: Measurement of vapor
pressures and heats of sublimation of dicarboxylic acids using atmospheric
solids analysis probe mass spectrometry, J. Phys. Chem. A, 116, 5900–5909, https://doi.org/10.1021/jp210021f, 2012.
Buchholz, A., Lambe, A. T., Ylisirniö, A., Li, Z., Tikkanen, O.-P., Faiola, C., Kari, E., Hao, L., Luoma, O., Huang, W., Mohr, C., Worsnop, D. R., Nizkorodov, S. A., Yli-Juuti, T., Schobesberger, S., and Virtanen, A.: Insights into the O : C-dependent mechanisms controlling the evaporation of α-pinene secondary organic aerosol particles, Atmos. Chem. Phys., 19, 4061–4073, https://doi.org/10.5194/acp-19-4061-2019, 2019.
Cai, C., Stewart, D. J., Reid, J. P., Zhang, Y. H., Ohm, P., Dutcher, C. S.,
and Clegg, S. L.: Organic component vapor pressures and hygroscopicities of
aqueous aerosol measured by optical tweezers, J. Phys. Chem. A, 119, 704–718, https://doi.org/10.1021/jp510525r, 2015.
Cain, K. P., Karnezi, E., and Pandis, S. N.: Challenges in determining
atmospheric organic aerosol volatility distributions using thermal
evaporation techniques, Aerosol Sci. Tech., 54, 941–957, 2020.
Cappa, C. D., Lovejoy, E. R., and Ravishankara, A.: Determination of
evaporation rates and vapor pressures of very low volatility compounds: A
study of the C4–C10 and C12 dicarboxylic acids, J. Phys. Chem. A, 111, 3099–3109, 2007.
Cappa, C. D., Lovejoy, E. R., and Ravishankara, A. R.: Evaporation rates and
vapor pressures of the even-numbered C8–C18 monocarboxylic acids, J. Phys. Chem. A, 112, 3959–3964, https://doi.org/10.1021/jp710586m, 2008.
Chattopadhyay, S. and Ziemann, P. J.: Vapor pressures of substituted and
unsubstituted monocarboxylic and dicarboxylic acids measured using an
improved thermal desorption particle beam mass spectrometry method, Aerosol Sci. Tech., 39, 1085–1100, 2005.
Cheng, Y., Su, H., Koop, T., Mikhailov, E., and Poschl, U.: Size dependence
of phase transitions in aerosol nanoparticles, Nat. Commun., 6, 5923, https://doi.org/10.1038/ncomms6923, 2015.
Compernolle, S., Ceulemans, K., and Müller, J.-F.: EVAPORATION: a new vapour pressure estimation methodfor organic molecules including non-additivity and intramolecular interactions, Atmos. Chem. Phys., 11, 9431–9450, https://doi.org/10.5194/acp-11-9431-2011, 2011.
Dang, C., Bannan, T., Shelley, P., Priestley, M., Worrall, S. D., Waters,
J., Coe, H., Percival, C. J., and Topping, D.: The effect of structure and
isomerism on the vapor pressures of organic molecules and its potential
atmospheric relevance, Aerosol Sci. Tech., 53, 1040–1055, 2019.
Davies, M. and Malpass, V.: 212. Heats of sublimation of straight-chain
monocarboxylic acids, J. Chem. Soc., 1961, 1048–1055, https://doi.org/10.1039/jr9610001048, 1961.
Davies, M. and Thomas, G. H.: The lattice energies, infra-red spectra, and possible cyclization of some dicarboxylic acids, T. Faraday Soc., 56, 185–192, https://doi.org/10.1039/tf9605600185, 1960.
Donahue, N. M., Epstein, S. A., Pandis, S. N., and Robinson, A. L.: A two-dimensional volatility basis set: 1. organic-aerosol mixing thermodynamics, Atmos. Chem. Phys., 11, 3303–3318, https://doi.org/10.5194/acp-11-3303-2011, 2011.
Eckert, F. and Klamt, A.: Fast solvent screening via quantum chemistry:
COSMO-RS approach, AIChE J., 48, 369–385, 2002.
Ehn, M., Thornton, J. A., Kleist, E., Sipila, M., Junninen, H., Pullinen,
I., Springer, M., Rubach, F., Tillmann, R., Lee, B., Lopez-Hilfiker, F.,
Andres, S., Acir, I. H., Rissanen, M., Jokinen, T., Schobesberger, S.,
Kangasluoma, J., Kontkanen, J., Nieminen, T., Kurten, T., Nielsen, L. B.,
Jorgensen, S., Kjaergaard, H. G., Canagaratna, M., Maso, M. D., Berndt, T.,
Petaja, T., Wahner, A., Kerminen, V. M., Kulmala, M., Worsnop, D. R., Wildt,
J., and Mentel, T. F.: A large source of low-volatility secondary organic
aerosol, Nature, 506, 476–479, https://doi.org/10.1038/nature13032, 2014.
Eichler, P., Müller, M., D'Anna, B., and Wisthaler, A.: A novel inlet system for online chemical analysis of semi-volatile submicron particulate matter, Atmos. Meas. Tech., 8, 1353–1360, https://doi.org/10.5194/amt-8-1353-2015, 2015.
Emanuelsson, E. U., Tschiskale, M., and Bilde, M.: Phase state and
saturation vapor pressure of submicron particles of meso-erythritol at
ambient conditions, J. Phys. Chem. A, 120, 7183–7191, 2016.
Fuchs, N. and Sutugin, A.: High-dispersed aerosols, in: Topics in current
aerosol research, Elsevier, p. 1, ISBN 9780080166742, https://doi.org/10.1016/b978-0-08-016674-2.50006-6, 1971.
Fuller, E. N., Schettler, P. D., and Giddings, J. C.: New method for
prediction of binary gas-phase diffusion coefficients, Ind. Eng. Chem., 58, 18–27, 1966.
Goldfarb, J. L. and Suuberg, E. M.: Vapor pressures and thermodynamics of
oxygen-containing polycyclic aromatic hydrocarbons measured using knudsen
effusion, Environ. Toxicol. Chem., 27, 1244–1249, https://doi.org/10.1897/07-486, 2008.
Hallquist, M., Wenger, J. C., Baltensperger, U., Rudich, Y., Simpson, D., Claeys, M., Dommen, J., Donahue, N. M., George, C., Goldstein, A. H., Hamilton, J. F., Herrmann, H., Hoffmann, T., Iinuma, Y., Jang, M., Jenkin, M. E., Jimenez, J. L., Kiendler-Scharr, A., Maenhaut, W., McFiggans, G., Mentel, Th. F., Monod, A., Prévôt, A. S. H., Seinfeld, J. H., Surratt, J. D., Szmigielski, R., and Wildt, J.: The formation, properties and impact of secondary organic aerosol: current and emerging issues, Atmos. Chem. Phys., 9, 5155–5236, https://doi.org/10.5194/acp-9-5155-2009, 2009.
Holzinger, R., Williams, J., Herrmann, F., Lelieveld, J., Donahue, N. M., and Röckmann, T.: Aerosol analysis using a Thermal-Desorption Proton-Transfer-Reaction Mass Spectrometer (TD-PTR-MS): a new approach to study processing of organic aerosols, Atmos. Chem. Phys., 10, 2257–2267, https://doi.org/10.5194/acp-10-2257-2010, 2010.
Huang, W., Saathoff, H., Pajunoja, A., Shen, X., Naumann, K.-H., Wagner, R., Virtanen, A., Leisner, T., and Mohr, C.: α-Pinene secondary organic aerosol at low temperature: chemical composition and implications for particle viscosity, Atmos. Chem. Phys., 18, 2883–2898, https://doi.org/10.5194/acp-18-2883-2018, 2018.
Hyttinen, N., Wolf, M., Rissanen, M. P., Ehn, M., Perakyla, O., Kurtén,
T., and Prisle, N. L.: Gas-to-particle partitioning of cyclohexene-and
α-pinene-derived highly oxygenated dimers evaluated using COSMOtherm,
J. Phys. Chem. A, 125, 3726–3738, 2021.
Hyttinen, N., Pullinen, I., Nissinen, A., Schobesberger, S., Virtanen, A., and Yli-Juuti, T.: Comparison of saturation vapor pressures of α-pinene + O3 oxidation products derived from COSMO-RS computations and thermal desorption experiments, Atmos. Chem. Phys., 22, 1195–1208, https://doi.org/10.5194/acp-22-1195-2022, 2022.
Jimenez, J. L., Canagaratna, M. R., Donahue, N. M., Prevot, A. S., Zhang,
Q., Kroll, J. H., DeCarlo, P. F., Allan, J. D., Coe, H., Ng, N. L., Aiken,
A. C., Docherty, K. S., Ulbrich, I. M., Grieshop, A. P., Robinson, A. L.,
Duplissy, J., Smith, J. D., Wilson, K. R., Lanz, V. A., Hueglin, C., Sun, Y.
L., Tian, J., Laaksonen, A., Raatikainen, T., Rautiainen, J., Vaattovaara,
P., Ehn, M., Kulmala, M., Tomlinson, J. M., Collins, D. R., Cubison, M. J.,
Dunlea, E. J., Huffman, J. A., Onasch, T. B., Alfarra, M. R., Williams, P.
I., Bower, K., Kondo, Y., Schneider, J., Drewnick, F., Borrmann, S., Weimer,
S., Demerjian, K., Salcedo, D., Cottrell, L., Griffin, R., Takami, A.,
Miyoshi, T., Hatakeyama, S., Shimono, A., Sun, J. Y., Zhang, Y. M., Dzepina,
K., Kimmel, J. R., Sueper, D., Jayne, J. T., Herndon, S. C., Trimborn, A.
M., Williams, L. R., Wood, E. C., Middlebrook, A. M., Kolb, C. E.,
Baltensperger, U., and Worsnop, D. R.: Evolution of organic aerosols in the
atmosphere, Science, 326, 1525–1529, https://doi.org/10.1126/science.1180353, 2009.
Julin, J., Winkler, P. M., Donahue, N. M., Wagner, P. E., and Riipinen, I.:
Near-unity mass accommodation coefficient of organic molecules of varying
structure, Environ. Sci. Technol., 48, 12083–12089, https://doi.org/10.1021/es501816h, 2014.
Kerminen, V.-M., Paramonov, M., Anttila, T., Riipinen, I., Fountoukis, C., Korhonen, H., Asmi, E., Laakso, L., Lihavainen, H., Swietlicki, E., Svenningsson, B., Asmi, A., Pandis, S. N., Kulmala, M., and Petäjä, T.: Cloud condensation nuclei production associated with atmospheric nucleation: a synthesis based on existing literature and new results, Atmos. Chem. Phys., 12, 12037–12059, https://doi.org/10.5194/acp-12-12037-2012, 2012.
Klamt, A.: Conductor-like screening model for real solvents: A new approach
to the quantitative calculation of solvation phenomena, J. Phys. Chem., 99, 2224–2235, 1995.
Klamt, A., Jonas, V., Bürger, T., and Lohrenz, J. C.: Refinement and
parametrization of COSMO-RS, J. Phys. Chem. A, 102,
5074–5085, 1998.
Klinger, E., Rickert, D., and Hasenauer, J.: pyABC: Distributed,
likelihood-free inference, Bioinformatics, 34, 3591–3593, https://doi.org/10.1093/bioinformatics/bty361, 2018.
Koponen, I. K., Riipinen, I., Hienola, A., Kulmala, M., and Bilde, M.:
Thermodynamic properties of malonic, succinic, and glutaric acids:
Evaporation rates and saturation vapor pressures, Environ. Sci. Technol., 41,
3926–3933, https://doi.org/10.1021/es0611240, 2007.
Krechmer, J. E., Day, D. A., Ziemann, P. J., and Jimenez, J. L.: Direct
measurements of gas/particle partitioning and mass accommodation
coefficients in environmental chambers, Environ. Sci. Technol., 51,
11867–11875, https://doi.org/10.1021/acs.est.7b02144, 2017.
Krieger, U. K., Siegrist, F., Marcolli, C., Emanuelsson, E. U., Gøbel, F. M., Bilde, M., Marsh, A., Reid, J. P., Huisman, A. J., Riipinen, I., Hyttinen, N., Myllys, N., Kurtén, T., Bannan, T., Percival, C. J., and Topping, D.: A reference data set for validating vapor pressure measurement techniques: homologous series of polyethylene glycols, Atmos. Meas. Tech., 11, 49–63, https://doi.org/10.5194/amt-11-49-2018, 2018.
Kurten, T., Tiusanen, K., Roldin, P., Rissanen, M., Luy, J.-N., Boy, M.,
Ehn, M., and Donahue, N.: α-Pinene autoxidation products may not have
extremely low saturation vapor pressures despite high O : C ratios, J. Phys. Chem. A, 120, 2569–2582, 2016.
Kurtén, T., Hyttinen, N., D'Ambro, E. L., Thornton, J., and Prisle, N. L.: Estimating the saturation vapor pressures of isoprene oxidation products C5H12O6 and C5H10O6 using COSMO-RS, Atmos. Chem. Phys., 18, 17589–17600, https://doi.org/10.5194/acp-18-17589-2018, 2018.
Li, W. and Chen, D.-R.: Performance of nano-dma operated with different
gases for sheath and aerosol carrier flows, Aerosol Sci. Tech.,
39, 931–940, https://doi.org/10.1080/02786820500346520, 2005.
Li, Z., Tikkanen, O.-P., Buchholz, A., Hao, L., Kari, E., Yli-Juuti, T., and
Virtanen, A.: Effect of decreased temperature on the evaporation of
α-pinene secondary organic aerosol particles, ACS Earth Space
Chem., 3, 2775–2785, 2019.
Li, Z., Buchholz, A., Ylisirniö, A., Barreira, L., Hao, L., Schobesberger, S., Yli-Juuti, T., and Virtanen, A.: Evolution of volatility and composition in sesquiterpene-mixed and α-pinene secondary organic aerosol particles during isothermal evaporation, Atmos. Chem. Phys., 21, 18283–18302, https://doi.org/10.5194/acp-21-18283-2021, 2021.
Li, Z., Buchholz, A., Barreira, L. M. F., Ylisirniö, A., Hao, L., Pullinen, I., Schobesberger, S., and Virtanen, A.: Isothermal evaporation of α-pinene secondary organic aerosol particles formed under low NOx and high NOx conditions, Atmos. Chem. Phys., 23, 203–220, https://doi.org/10.5194/acp-23-203-2023, 2023.
Liepe, J., Kirk, P., Filippi, S., Toni, T., Barnes, C. P., and Stumpf, M.
P.: A framework for parameter estimation and model selection from
experimental data in systems biology using approximate bayesian computation,
Nat. Protoc., 9, 439–456, https://doi.org/10.1038/nprot.2014.025, 2014.
Liu, X., Day, D. A., Krechmer, J. E., Brown, W., Peng, Z., Ziemann, P. J.,
and Jimenez, J. L.: Direct measurements of semi-volatile organic compound
dynamics show near-unity mass accommodation coefficients for diverse
aerosols, Commun. Chem., 2, 98, https://doi.org/10.1038/s42004-019-0200-x, 2019.
Liu, X., Day, D. A., Krechmer, J. E., Ziemann, P. J., and Jimenez, J. L.:
Determining activity coefficients of SOA from isothermal evaporation in a
laboratory chamber, Environ. Sci. Technol. Lett., 8, 212–217, 2020.
Lopez-Hilfiker, F. D., Mohr, C., Ehn, M., Rubach, F., Kleist, E., Wildt, J., Mentel, Th. F., Lutz, A., Hallquist, M., Worsnop, D., and Thornton, J. A.: A novel method for online analysis of gas and particle composition: description and evaluation of a Filter Inlet for Gases and AEROsols (FIGAERO), Atmos. Meas. Tech., 7, 983–1001, https://doi.org/10.5194/amt-7-983-2014, 2014.
Mitchem, L. and Reid, J. P.: Optical manipulation and characterisation of
aerosol particles using a single-beam gradient force optical trap, Chem. Soc.
Rev., 37, 756–769, https://doi.org/10.1039/b609713h, 2008.
Mohr, C., Thornton, J. A., Heitto, A., Lopez-Hilfiker, F. D., Lutz, A.,
Riipinen, I., Hong, J., Donahue, N. M., Hallquist, M., Petaja, T., Kulmala,
M., and Yli-Juuti, T.: Molecular identification of organic vapors driving
atmospheric nanoparticle growth, Nat. Commun., 10, 4442, https://doi.org/10.1038/s41467-019-12473-2, 2019.
Moore, W.: Physical chemistry, 3rd edn., Prentice Hall, Englewood Cliffs, NJ, USA, ASIN B0073AA2OY, 1962.
Nannoolal, Y., Rarey, J., and Ramjugernath, D.: Estimation of pure component
properties: Part 3. Estimation of the vapor pressure of non-electrolyte
organic compounds via group contributions and group interactions, Fluid
Phase Equilibr., 269, 117–133, 2008.
Oxford, C. R., Rapp, C. M., Wang, Y., Kumar, P., Watson, D., Portelli, J. L., Sussman, E. A., Dhawan, S., Jiang, J., and Williams, B. J.: Development and qualification of a VH-TDMA for the study of pure aerosols, Aerosol Sci. Tech., 53, 120–132, https://doi.org/10.1080/02786826.2018.1547358, 2019.
Pankow, J. F.: An absorption model of gas/particle partitioning of organic
compounds in the atmosphere, Atmos. Environ., 28, 185–188, https://doi.org/10.1016/1352-2310(94)90093-0, 1994.
Pankow, J. F. and Asher, W. E.: SIMPOL.1: a simple group contribution method for predicting vapor pressures and enthalpies of vaporization of multifunctional organic compounds, Atmos. Chem. Phys., 8, 2773–2796, https://doi.org/10.5194/acp-8-2773-2008, 2008.
Price, C. L., Kaur Kohli, R., Shokoor, B., and Davies, J. F.: Connecting the
phase state and volatility of dicarboxylic acids at elevated temperatures,
J. Phys. Chem. A, 126, 6963–6972, 2022.
Rader, D., McMurry, P. H., and Smith, S.: Evaporation rates of monodisperse
organic aerosols in the 0.02-to 0.2-µm-diameter range, Aerosol Sci. Tech., 6, 247–260, 1987.
Reid, R. C., Prausnitz, J. M., and Poling, B. E.: The properties of gases
and liquids, 4th edn., McGraw Hill Book Co, New York, ISBN 0070517991, 1987.
Ribeiro da Silva, M. A., Monte, M. J., and Ribeiro, J. R.: Vapour pressures and the enthalpies and entropies of sublimation of five dicarboxylic acids, J. Chem. Thermodyn., 31, 1093–1107, https://doi.org/10.1006/jcht.1999.0522, 1999.
Ribeiro da Silva, M. A., Monte, M. J., and Ribeiro, J. R.: Thermodynamic study on
the sublimation of succinic acid and of methyl-and dimethyl-substituted
succinic and glutaric acids, J. Chem. Thermodyn., 33, 23–31, 2001.
Riipinen, I., Svenningsson, B., Bilde, M., Gaman, A., Lehtinen, K., and
Kulmala, M.: A method for determining thermophysical properties of organic
material in aqueous solutions: Succinic acid, Atmos. Res., 82,
579–590, 2006.
Saha, P. K., Khlystov, A., and Grieshop, A. P.: Determining aerosol
volatility parameters using a “dual thermodenuder” system: Application to
laboratory-generated organic aerosols, Aerosol Sci. Tech., 49,
620–632, 2015.
Saleh, R., Walker, J., and Khlystov, A.: Determination of saturation
pressure and enthalpy of vaporization of semi-volatile aerosols: The
integrated volume method, J. Aerosol Sci., 39, 876–887, https://doi.org/10.1016/j.jaerosci.2008.06.004, 2008.
Saleh, R., Khlystov, A., and Shihadeh, A.: Effect of aerosol generation
method on measured saturation pressure and enthalpy of vaporization for
dicarboxylic acid aerosols, Aerosol Sci. Tech., 44, 302–307, https://doi.org/10.1080/02786821003591810, 2010.
Salo, K., Jonsson, A. M., Andersson, P. U., and Hallquist, M.: Aerosol
volatility and enthalpy of sublimation of carboxylic acids, J. Phys. Chem. A,
114, 4586–4594, https://doi.org/10.1021/jp910105h, 2010.
Schälte, Y. and Hasenauer, J.: Efficient exact inference for dynamical
systems with noisy measurements using sequential approximate bayesian
computation, Bioinformatics, 36, i551–i559, 2020.
Schobesberger, S., D'Ambro, E. L., Lopez-Hilfiker, F. D., Mohr, C., and Thornton, J. A.: A model framework to retrieve thermodynamic and kinetic properties of organic aerosol from composition-resolved thermal desorption measurements, Atmos. Chem. Phys., 18, 14757–14785, https://doi.org/10.5194/acp-18-14757-2018, 2018.
Schwantes, R. H., Charan, S. M., Bates, K. H., Huang, Y., Nguyen, T. B., Mai, H., Kong, W., Flagan, R. C., and Seinfeld, J. H.: Low-volatility compounds contribute significantly to isoprene secondary organic aerosol (SOA) under high-NOx conditions, Atmos. Chem. Phys., 19, 7255–7278, https://doi.org/10.5194/acp-19-7255-2019, 2019.
Shelley, P. D., Bannan, T. J., Worrall, S. D., Alfarra, M. R., Krieger, U. K., Percival, C. J., Garforth, A., and Topping, D.: Measured solid state and subcooled liquid vapour pressures of nitroaromatics using Knudsen effusion mass spectrometry, Atmos. Chem. Phys., 20, 8293–8314, https://doi.org/10.5194/acp-20-8293-2020, 2020.
Sisson, S. A., Fan, Y., and Tanaka, M. M.: Sequential monte carlo without
likelihoods, P. Natl. Acad. Sci. USA, 104, 1760–1765, 2007.
Stahn, M., Grimme, S., Salthammer, T., Hohm, U., and Palm, W. U.: Quantum
chemical calculation of the vapor pressure of volatile and semi volatile
organic compounds, Environ. Sci.-Proc. Imp., 24, 2153–2166, https://doi.org/10.1039/d2em00271j, 2022.
Tao, Y. and McMurry, P. H.: Vapor pressures and surface free energies of
C14-C18 monocarboxylic acids and C5 and C6 dicarboxylic
acids, Environ. Sci. Technol., 23, 1519–1523, 1989.
Toni, T., Welch, D., Strelkowa, N., Ipsen, A., and Stumpf, M. P.:
Approximate bayesian computation scheme for parameter inference and model
selection in dynamical systems, J. Roy. Soc. Interface, 6, 187–202, https://doi.org/10.1098/rsif.2008.0172, 2009.
TURBOMOLE: TURBOMOLE V7.4.1, a development of University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989–2007, TURBOMOLE GmbH, since 2007, 2019.
von Domaros, M., Lakey, P. S. J., Shiraiwa, M., and Tobias, D. J.:
Multiscale modeling of human skin oil-induced indoor air chemistry:
Combining kinetic models and molecular dynamics, J. Phys. Chem. B, 124,
3836–3843, https://doi.org/10.1021/acs.jpcb.0c02818, 2020.
Yang, L. H., Takeuchi, M., Chen, Y., and Ng, N. L.: Characterization of
thermal decomposition of oxygenated organic compounds in FIGAERO-CIMS,
Aerosol Sci. Tech., 55, 1321–1342, https://doi.org/10.1080/02786826.2021.1945529, 2021.
Yatavelli, R. L. and Thornton, J. A.: Particulate organic matter detection
using a micro-orifice volatilization impactor coupled to a chemical
ionization mass spectrometer (MOVI-CIMS), Aerosol Sci. Tech.,
44, 61–74, 2010.
Yeung, M. C., Ling, T. Y., and Chan, C. K.: Effects of the polymorphic
transformation of glutaric acid particles on their deliquescence and
hygroscopic properties, J. Phys. Chem. A, 114, 898–903,
2010.
Yli-Juuti, T., Zardini, A. A., Eriksson, A. C., Hansen, A. M., Pagels, J.
H., Swietlicki, E., Svenningsson, B., Glasius, M., Worsnop, D. R., Riipinen,
I., and Bilde, M.: Volatility of organic aerosol: Evaporation of ammonium
sulfate/succinic acid aqueous solution droplets, Environ. Sci. Technol., 47,
12123–12130, https://doi.org/10.1021/es401233c, 2013.
Yli-Juuti, T., Pajunoja, A., Tikkanen, O. P., Buchholz, A., Faiola, C.,
Vaisanen, O., Hao, L., Kari, E., Perakyla, O., Garmash, O., Shiraiwa, M.,
Ehn, M., Lehtinen, K., and Virtanen, A.: Factors controlling the evaporation
of secondary organic aerosol from alpha-pinene ozonolysis, Geophys. Res. Lett., 44, 2562–2570, https://doi.org/10.1002/2016GL072364, 2017.
Ylisirniö, A., Barreira, L. M. F., Pullinen, I., Buchholz, A., Jayne, J., Krechmer, J. E., Worsnop, D. R., Virtanen, A., and Schobesberger, S.: On the calibration of FIGAERO-ToF-CIMS: importance and impact of calibrant delivery for the particle-phase calibration, Atmos. Meas. Tech., 14, 355–367, https://doi.org/10.5194/amt-14-355-2021, 2021.
Zardini, A. A. and Krieger, U. K.: Evaporation kinetics of a non-spherical,
levitated aerosol particle using optical resonance spectroscopy for
precision sizing, Opt, Express, 17, 4659–4669, https://doi.org/10.1364/oe.17.004659, 2009.
Zardini, A. A., Krieger, U. K., and Marcolli, C.: White light mie resonance
spectroscopy used to measure very low vapor pressures of substances in
aqueous solution aerosol particles, Opt. Express, 14, 6951–6962, 2006.
Zhang, Q., Jimenez, J. L., Canagaratna, M. R., Allan, J. D., Coe, H., Ulbrich, I., Alfarra, M. R., Takami, A., Middlebrook, A. M., Sun, Y. L., Dzepina, K., Dunlea, E., Docherty, K., DeCarlo, P. F., Salcedo, D., Onasch, T., Jayne, J. T., Miyoshi, T., Shimono, A., Hatakeyama, S., Takegawa, N., Kondo, Y., Schneider, J., Drewnick, F., Borrmann, S., Weimer, S., Demerjian, K., Williams, P., Bower, K., Bahreini, R., Cottrell, L., Griffin, R. J., Rautiainen, J., Sun, J. Y., Zhang, Y. M., and Worsnop, D. R.: Ubiquity and dominance of oxygenated species in organic aerosols in anthropogenically-influenced northern hemisphere midlatitudes, Geophys. Res. Lett., 34, L13801, https://doi.org/10.1029/2007gl029979, 2007.
Short summary
The saturation vapor pressure (psat) of low-volatility organic compounds (LVOCs) governs their partitioning between the gas and particle phases. To estimate the psat of selected LVOCs, we performed particle evaporation measurements in a residence time chamber at a temperature setting relevant to atmospheric aerosol formation and conducted state-of-the-art computational calculations. We found good agreement between the experimentally measured and model-estimated psat values for most LVOCs.
The saturation vapor pressure (psat) of low-volatility organic compounds (LVOCs) governs their...
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