Articles | Volume 18, issue 23
Atmos. Chem. Phys., 18, 17077–17086, 2018
https://doi.org/10.5194/acp-18-17077-2018
Atmos. Chem. Phys., 18, 17077–17086, 2018
https://doi.org/10.5194/acp-18-17077-2018

Research article 04 Dec 2018

Research article | 04 Dec 2018

Molecular dynamics simulation of the surface tension of aqueous sodium chloride: from dilute to highly supersaturated solutions and molten salt

Xiaoxiang Wang et al.

Related authors

Energetic analysis of succinic acid in water droplets: insight into the size-dependent solubility of atmospheric nanoparticles
Chuchu Chen, Xiaoxiang Wang, Kurt Binder, Mohammad Mehdi Ghahremanpour, David van der Spoel, Ulrich Pöschl, Hang Su, and Yafang Cheng
Atmos. Chem. Phys. Discuss., https://doi.org/10.5194/acp-2020-1329,https://doi.org/10.5194/acp-2020-1329, 2021
Preprint under review for ACP
Short summary
Light-induced protein nitration and degradation with HONO emission
Hannah Meusel, Yasin Elshorbany, Uwe Kuhn, Thorsten Bartels-Rausch, Kathrin Reinmuth-Selzle, Christopher J. Kampf, Guo Li, Xiaoxiang Wang, Jos Lelieveld, Ulrich Pöschl, Thorsten Hoffmann, Hang Su, Markus Ammann, and Yafang Cheng
Atmos. Chem. Phys., 17, 11819–11833, https://doi.org/10.5194/acp-17-11819-2017,https://doi.org/10.5194/acp-17-11819-2017, 2017
Short summary
A broad supersaturation scanning (BS2) approach for rapid measurement of aerosol particle hygroscopicity and cloud condensation nuclei activity
Hang Su, Yafang Cheng, Nan Ma, Zhibin Wang, Xiaoxiang Wang, Mira L. Pöhlker, Björn Nillius, Alfred Wiedensohler, and Ulrich Pöschl
Atmos. Meas. Tech., 9, 5183–5192, https://doi.org/10.5194/amt-9-5183-2016,https://doi.org/10.5194/amt-9-5183-2016, 2016
Short summary

Related subject area

Subject: Aerosols | Research Activity: Atmospheric Modelling | Altitude Range: Troposphere | Science Focus: Physics (physical properties and processes)
Aerosol dynamics and dispersion of radioactive particles
Pontus von Schoenberg, Peter Tunved, Håkan Grahn, Alfred Wiedensohler, Radovan Krejci, and Niklas Brännström
Atmos. Chem. Phys., 21, 5173–5193, https://doi.org/10.5194/acp-21-5173-2021,https://doi.org/10.5194/acp-21-5173-2021, 2021
Short summary
Development and intercity transferability of land-use regression models for predicting ambient PM10, PM2.5, NO2 and O3 concentrations in northern Taiwan
Zhiyuan Li, Kin-Fai Ho, Hsiao-Chi Chuang, and Steve Hung Lam Yim
Atmos. Chem. Phys., 21, 5063–5078, https://doi.org/10.5194/acp-21-5063-2021,https://doi.org/10.5194/acp-21-5063-2021, 2021
Short summary
Constraints on global aerosol number concentration, SO2 and condensation sink in UKESM1 using ATom measurements
Ananth Ranjithkumar, Hamish Gordon, Christina Williamson, Andrew Rollins, Kirsty Pringle, Agnieszka Kupc, Nathan Luke Abraham, Charles Brock, and Ken Carslaw
Atmos. Chem. Phys., 21, 4979–5014, https://doi.org/10.5194/acp-21-4979-2021,https://doi.org/10.5194/acp-21-4979-2021, 2021
Short summary
Turbulence-permitting air pollution simulation for the Stuttgart metropolitan area
Thomas Schwitalla, Hans-Stefan Bauer, Kirsten Warrach-Sagi, Thomas Bönisch, and Volker Wulfmeyer
Atmos. Chem. Phys., 21, 4575–4597, https://doi.org/10.5194/acp-21-4575-2021,https://doi.org/10.5194/acp-21-4575-2021, 2021
Short summary
Temporally resolved sectoral and regional contributions to air pollution in Beijing: informing short-term emission controls
Tabish Umar Ansari, Oliver Wild, Edmund Ryan, Ying Chen, Jie Li, and Zifa Wang
Atmos. Chem. Phys., 21, 4471–4485, https://doi.org/10.5194/acp-21-4471-2021,https://doi.org/10.5194/acp-21-4471-2021, 2021
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, 19–25, 2015. 
Alejandre, J., Tildesley, D. J., and Chapela, G. A.: Molecular dynamics simulation of the orthobaric densities and surface tension of water, J. Chem. Phys., 102, 4574–4583, 1995. 
Aveyard, R. and Saleem, S. M.: Interfacial tensions at alkane-aqueous electrolyte interfaces, J. Am. Chem. Soc., 72, 1609–1617, 1976. 
Bahadur, R., Russell, L. M., and Alavi, S.: Surface tensions in NaCl-water-air systems from MD simulations, J. Phys. Chem. B, 111, 11989–11996, 2007. 
Berendsen, H., Grigera, J., and Straatsma, T.: The missing term in effective pair potentials, J. Phys. Chem., 91, 6269–6271, 1987. 
Download
Short summary
The surface tension of aqueous NaCl (σ) is investigated by molecular dynamics simulations from dilute to highly supersaturated solutions. The linear approximation of concentration dependence of σ at molality scale can be extended to the supersaturated NaCl solution until the solute mass fraction (xNaCl) of ~0.39. After that, the σ remains almost unchanged until an xNaCl of ~0.47. Then the σ gradually regains the growing momentum with a tendency to approach the surface tension of molten NaCl.
Altmetrics
Final-revised paper
Preprint