Articles | Volume 20, issue 21
https://doi.org/10.5194/acp-20-13131-2020
https://doi.org/10.5194/acp-20-13131-2020
Technical note
 | 
09 Nov 2020
Technical note |  | 09 Nov 2020

Technical note: Estimating aqueous solubilities and activity coefficients of mono- and α,ω-dicarboxylic acids using COSMOtherm

Noora Hyttinen, Reyhaneh Heshmatnezhad, Jonas Elm, Theo Kurtén, and Nønne L. Prisle

Related authors

Predicting Hygroscopic Growth of Organosulfur Aerosol Particles Using COSMOtherm
Zijun Li, Angela Buchholz, and Noora Hyttinen
EGUsphere, https://doi.org/10.5194/egusphere-2024-1182,https://doi.org/10.5194/egusphere-2024-1182, 2024
Short summary
The effect of atmospherically relevant aminium salts on water uptake
Noora Hyttinen
Atmos. Chem. Phys., 23, 13809–13817, https://doi.org/10.5194/acp-23-13809-2023,https://doi.org/10.5194/acp-23-13809-2023, 2023
Short summary
Towards a mechanistic description of autoxidation chemistry: from precursors to atmospheric implications
Lukas Pichelstorfer, Pontus Roldin, Matti Rissanen, Noora Hyttinen, Olga Garmash, Carlton Xavier, Putian Zhou, Petri Clusius, Benjamin Foreback, Thomas Golin Almeida, Chenjuan Deng, Metin Baykara, Theo Kurten, and Michael Boy
EGUsphere, https://doi.org/10.5194/egusphere-2023-1415,https://doi.org/10.5194/egusphere-2023-1415, 2023
Preprint archived
Short summary
Saturation vapor pressure characterization of selected low-volatility organic compounds using a residence time chamber
Zijun Li, Noora Hyttinen, Miika Vainikka, Olli-Pekka Tikkasalo, Siegfried Schobesberger, and Taina Yli-Juuti
Atmos. Chem. Phys., 23, 6863–6877, https://doi.org/10.5194/acp-23-6863-2023,https://doi.org/10.5194/acp-23-6863-2023, 2023
Short summary
Comparison of saturation vapor pressures of α-pinene + O3 oxidation products derived from COSMO-RS computations and thermal desorption experiments
Noora Hyttinen, Iida Pullinen, Aki Nissinen, Siegfried Schobesberger, Annele Virtanen, and Taina Yli-Juuti
Atmos. Chem. Phys., 22, 1195–1208, https://doi.org/10.5194/acp-22-1195-2022,https://doi.org/10.5194/acp-22-1195-2022, 2022
Short summary

Related subject area

Subject: Aerosols | Research Activity: Atmospheric Modelling and Data Analysis | Altitude Range: Troposphere | Science Focus: Physics (physical properties and processes)
Microphysical modelling of aerosol scavenging by different types of clouds: description and validation of the approach
Pascal Lemaitre, Arnaud Quérel, Alexis Dépée, Alice Guerra Devigne, Marie Monier, Thibault Hiron, Chloé Soto Minguez, Daniel Hardy, and Andrea Flossmann
Atmos. Chem. Phys., 24, 9713–9732, https://doi.org/10.5194/acp-24-9713-2024,https://doi.org/10.5194/acp-24-9713-2024, 2024
Short summary
Insights into the sources of ultrafine particle numbers at six European urban sites obtained by investigating COVID-19 lockdowns
Alex Rowell, James Brean, David C. S. Beddows, Tuukka Petäjä, Máté Vörösmarty, Imre Salma, Jarkko V. Niemi, Hanna E. Manninen, Dominik van Pinxteren, Thomas Tuch, Kay Weinhold, Zongbo Shi, and Roy M. Harrison
Atmos. Chem. Phys., 24, 9515–9531, https://doi.org/10.5194/acp-24-9515-2024,https://doi.org/10.5194/acp-24-9515-2024, 2024
Short summary
In-plume and out-of-plume analysis of aerosol–cloud interactions derived from the 2014–2015 Holuhraun volcanic eruption
Amy H. Peace, Ying Chen, George Jordan, Daniel G. Partridge, Florent Malavelle, Eliza Duncan, and Jim M. Haywood
Atmos. Chem. Phys., 24, 9533–9553, https://doi.org/10.5194/acp-24-9533-2024,https://doi.org/10.5194/acp-24-9533-2024, 2024
Short summary
Impacts of atmospheric circulation patterns and cloud inhibition on aerosol radiative effect and boundary layer structure during winter air pollution in Sichuan Basin, China
Hua Lu, Min Xie, Bingliang Zhuang, Danyang Ma, Bojun Liu, Yangzhihao Zhan, Tijian Wang, Shu Li, Mengmeng Li, and Kuanguang Zhu
Atmos. Chem. Phys., 24, 8963–8982, https://doi.org/10.5194/acp-24-8963-2024,https://doi.org/10.5194/acp-24-8963-2024, 2024
Short summary
Investigating the sign of stratocumulus adjustments to aerosols in the ICON global storm-resolving model
Emilie Fons, Ann Kristin Naumann, David Neubauer, Theresa Lang, and Ulrike Lohmann
Atmos. Chem. Phys., 24, 8653–8675, https://doi.org/10.5194/acp-24-8653-2024,https://doi.org/10.5194/acp-24-8653-2024, 2024
Short summary

Cited articles

AIOMFAC-web: version 2.32, available at: http://www.aiomfac.caltech.edu, last access: 11 August 2020. a, b, c
Aloisio, S., Hintze, P. E., and Vaida, V.: The hydration of formic acid, J. Phys. Chem. A, 106, 363–370, https://doi.org/10.1021/jp012190l, 2002. a
Apelblat, A. and Manzurola, E.: Solubility of oxalic, malonic, succinic, adipic, maleic, malic, citric, and tartaric acids in water from 278.15 to 338.15 K, J. Chem. Thermodyn., 19, 317–320, https://doi.org/10.1016/0021-9614(87)90139-X, 1987. a, b
Apelblat, A. and Manzurola, E.: Solubility of ascorbic, 2-furancarboxylic, glutaric, pimelic, salicylic, and o-phthalic acids in water from 279.15 to 342.15 K, and apparent molar volumes of ascorbic, glutaric, and pimelic acids in water at 298.15 K, J. Chem. Thermodyn., 21, 1005–1008, https://doi.org/10.1016/0021-9614(89)90161-4, 1989. a, b
Apelblat, A. and Manzurola, E.: Solubility of suberic, azelaic, levulinic, glycolic, and diglycolic acids in water from 278.25 K to 361.35 K, J. Chem. Thermodyn., 22, 289–292, https://doi.org/10.1016/0021-9614(90)90201-Z, 1990. a, b
Download
Short summary
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.
Altmetrics
Final-revised paper
Preprint