Articles | Volume 21, issue 23
Atmos. Chem. Phys., 21, 17687–17714, 2021
Atmos. Chem. Phys., 21, 17687–17714, 2021
Research article
03 Dec 2021
Research article | 03 Dec 2021

Molecular-scale description of interfacial mass transfer in phase-separated aqueous secondary organic aerosol

Mária Lbadaoui-Darvas et al.

Related authors

Atmospheric particulate matter characterization by Fourier transform infrared spectroscopy: a review of statistical calibration strategies for carbonaceous aerosol quantification in US measurement networks
Satoshi Takahama, Ann M. Dillner, Andrew T. Weakley, Matteo Reggente, Charlotte Bürki, Mária Lbadaoui-Darvas, Bruno Debus, Adele Kuzmiakova, and Anthony S. Wexler
Atmos. Meas. Tech., 12, 525–567,,, 2019
Short summary

Related subject area

Subject: Aerosols | Research Activity: Atmospheric Modelling | Altitude Range: Troposphere | Science Focus: Physics (physical properties and processes)
Role of K-feldspar and quartz in global ice nucleation by mineral dust in mixed-phase clouds
Marios Chatziparaschos, Nikos Daskalakis, Stelios Myriokefalitakis, Nikos Kalivitis, Athanasios Nenes, María Gonçalves Ageitos, Montserrat Costa-Surós, Carlos Pérez García-Pando, Medea Zanoli, Mihalis Vrekoussis, and Maria Kanakidou
Atmos. Chem. Phys., 23, 1785–1801,,, 2023
Short summary
Projected increases in wildfires may challenge regulatory curtailment of PM2.5 over the eastern US by 2050
Chandan Sarangi, Yun Qian, L. Ruby Leung, Yang Zhang, Yufei Zou, and Yuhang Wang
Atmos. Chem. Phys., 23, 1769–1783,,, 2023
Short summary
Meteorological export and deposition fluxes of black carbon on glaciers of the central Chilean Andes
Rémy Lapere, Nicolás Huneeus, Sylvain Mailler, Laurent Menut, and Florian Couvidat
Atmos. Chem. Phys., 23, 1749–1768,,, 2023
Short summary
Future changes in atmospheric rivers over East Asia under stratospheric aerosol intervention
Ju Liang and Jim Haywood
Atmos. Chem. Phys., 23, 1687–1703,,, 2023
Short summary
Modeling the influence of chain length on secondary organic aerosol (SOA) formation via multiphase reactions of alkanes
Azad Madhu, Myoseon Jang, and David Deacon
Atmos. Chem. Phys., 23, 1661–1675,,, 2023
Short summary

Cited articles

Abraham, M. J., Murtola, T., Schulz, R., Páll, S., Smith, J. C., Hess, B., and Lindahl, E.: GROMACS: High Performance Molecular Simulations through Multi-level Parallelism from Laptops to Supercomputers, SoftwareX, 1/2, 19–25,, 2015. a
Allen, W. J., Wiley, M. R., Myles, K. M., Adelman, Z. N., and Bevan, D. R.: Steered molecular dynamics identifies critical residues of the Nodamura virus B2 suppressor of RNAi, J. Molecul. Model., 20, 2092,, 2014. a
Bahadur, R. and Russell, L.: Water uptake coefficients and deliquescence of NaCl nanoparticles at atmospheric relative humidities from molecular dynamics simulations, J. Chem. Phys., 129, 094508,, 2008. a, b
Barclay, P. L. and Lukes, J. R.: Curvature dependence of the mass accommodation coefficient, Langmuir, 35, 6196–6202, 2019. a
Baron, R., de Vries, A. H., Hünenberger, P. H., and van Gunsteren, W. F.: Configurational Entropies of Lipids in Pure and Mixed Bilayers from Atomic-Level and Coarse-Grained Molecular Dynamics Simulations, J. Phys. Chem. B, 110, 15602–15614,, 2006. a, b
Short summary
Aerosol–cloud interactions constitute the most uncertain contribution to climate change. The uptake kinetics of water by aerosol is a central process of cloud droplet formation, yet its molecular-scale mechanism is unknown. We use molecular simulations to study this process for phase-separated organic particles. Our results explain the increased cloud condensation activity of such particles and can be generalized over various compositions, thus possibly serving as a basis for future models.
Final-revised paper