Articles | Volume 21, issue 23
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, Satoshi Takahama, and Athanasios Nenes

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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