Articles | Volume 15, issue 1
Research article
14 Jan 2015
Research article |  | 14 Jan 2015

Improved AIOMFAC model parameterisation of the temperature dependence of activity coefficients for aqueous organic mixtures

G. Ganbavale, A. Zuend, C. Marcolli, and T. Peter

Related authors

Stratospherically induced circulation changes under the extreme conditions of the no-Montreal-Protocol scenario
Franziska Zilker, Timofei Sukhodolov, Gabriel Chiodo, Marina Friedel, Tatiana Egorova, Eugene Rozanov, Jan Sedlacek, Svenja Seeber, and Thomas Peter
Atmos. Chem. Phys., 23, 13387–13411,,, 2023
Short summary
Weakening of springtime Arctic ozone depletion with climate change
Marina Friedel, Gabriel Chiodo, Timofei Sukhodolov, James Keeble, Thomas Peter, Svenja Seeber, Andrea Stenke, Hideharu Akiyoshi, Eugene Rozanov, David Plummer, Patrick Jöckel, Guang Zeng, Olaf Morgenstern, and Béatrice Josse
Atmos. Chem. Phys., 23, 10235–10254,,, 2023
Short summary
Importance of microphysical settings for climate forcing by stratospheric SO2 injections as modelled by SOCOL-AERv2
Sandro Vattioni, Andrea Stenke, Beiping Luo, Gabriel Chiodo, Timofei Sukhodolov, Elia Wunderlin, and Thomas Peter
EGUsphere,,, 2023
Short summary
Analysis of the global atmospheric background sulfur budget in a multi-model framework
Christina V. Brodowsky, Timofei Sukhodolov, Gabriel Chiodo, Valentina Aquila, Slimane Bekki, Sandip S. Dhomse, Anton Laakso, Graham W. Mann, Ulrike Niemeier, Ilaria Quaglia, Eugene Rozanov, Anja Schmidt, Takashi Sekiya, Simone Tilmes, Claudia Timmreck, Sandro Vattioni, Daniele Visioni, Pengfei Yu, Yunqian Zhu, and Thomas Peter
EGUsphere,,, 2023
Short summary
A thermodynamic framework for bulk–surface partitioning in finite-volume mixed organic–inorganic aerosol particles and cloud droplets
Ryan Schmedding and Andreas Zuend
Atmos. Chem. Phys., 23, 7741–7765,,, 2023
Short summary

Related subject area

Subject: Aerosols | Research Activity: Atmospheric Modelling and Data Analysis | Altitude Range: Troposphere | Science Focus: Chemistry (chemical composition and reactions)
Effects of simulated secondary organic aerosol water on PM1 levels and composition over the US
Stylianos Kakavas, Spyros N. Pandis, and Athanasios Nenes
Atmos. Chem. Phys., 23, 13555–13564,,, 2023
Short summary
Reactive organic carbon air emissions from mobile sources in the United States
Benjamin N. Murphy, Darrell Sonntag, Karl M. Seltzer, Havala O. T. Pye, Christine Allen, Evan Murray, Claudia Toro, Drew R. Gentner, Cheng Huang, Shantanu Jathar, Li Li, Andrew A. May, and Allen L. Robinson
Atmos. Chem. Phys., 23, 13469–13483,,, 2023
Short summary
Development and evaluation of processes affecting simulation of diel fine particulate matter variation in the GEOS-Chem model
Yanshun Li, Randall V. Martin, Chi Li, Brian L. Boys, Aaron van Donkelaar, Jun Meng, and Jeffrey R. Pierce
Atmos. Chem. Phys., 23, 12525–12543,,, 2023
Short summary
Substantially positive contributions of new particle formation to cloud condensation nuclei under low supersaturation in China based on numerical model improvements
Chupeng Zhang, Shangfei Hai, Yang Gao, Yuhang Wang, Shaoqing Zhang, Lifang Sheng, Bin Zhao, Shuxiao Wang, Jingkun Jiang, Xin Huang, Xiaojing Shen, Junying Sun, Aura Lupascu, Manish Shrivastava, Jerome D. Fast, Wenxuan Cheng, Xiuwen Guo, Ming Chu, Nan Ma, Juan Hong, Qiaoqiao Wang, Xiaohong Yao, and Huiwang Gao
Atmos. Chem. Phys., 23, 10713–10730,,, 2023
Short summary
Evolution of atmospheric age of particles and its implications for the formation of a severe haze event in eastern China
Xiaodong Xie, Jianlin Hu, Momei Qin, Song Guo, Min Hu, Dongsheng Ji, Hongli Wang, Shengrong Lou, Cheng Huang, Chong Liu, Hongliang Zhang, Qi Ying, Hong Liao, and Yuanhang Zhang
Atmos. Chem. Phys., 23, 10563–10578,,, 2023
Short summary

Cited articles

Abbas, R. and Gmehling, J.: Vapour–liquid equilibria, azeotropic data, excess enthalpies, activity coefficients at infinite dilution and solid–liquid equilibria for binary alcohol–ketone systems, Fluid Phase Equilibr., 267, 119–126, 2008.
Ablett, S., Izzard, M., and Lillford, P.: Differential scanning calorimetric study of frozen sucrose and glycerol solutions, J. Chem. Soc. Faraday T., 88, 789–794,, 1992.
Abrams, D. S. and Prausnitz, J. M.: Statistical thermodynamics of liquid mixtures: a new expression for the excess Gibbs energy of partly or completely miscible systems, AIChE J., 21, 116–128, 1975.
Ahlers, J.: Measurement, modeling and evaluation of solid–liquid phase equilibria, Frankfurt/Main: DECHEMA Deutsche Gesellschaft für Chemisches Apparatewesen, 126 pp., 1998.
Al-Muhtaseb, S. and Fahim, M.: Phase equilibria of the ternary system water/acetic acid/2-pentanol, Fluid Phase Equilibr., 123, 189–203, 1996.
Short summary
This study presents a new, improved parameterisation of the temperature dependence of activity coefficients implemented in the AIOMFAC group-contribution model. The AIOMFAC model with the improved parameterisation is applicable for a large variety of aqueous organic as well as water-free organic solutions of relevance for atmospheric aerosols. The new model parameters were determined based on published and new thermodynamic equilibrium data covering a temperature range from ~190 to 440 K.
Final-revised paper