Articles | Volume 18, issue 23
https://doi.org/10.5194/acp-18-17077-2018
© Author(s) 2018. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/acp-18-17077-2018
© Author(s) 2018. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Molecular dynamics simulation of the surface tension of aqueous sodium chloride: from dilute to highly supersaturated solutions and molten salt
Xiaoxiang Wang
Max Planck Institute for Chemistry, Multiphase Chemistry Department, Hahn-Meitner-Weg 1, 55128 Mainz, Germany
Chuchu Chen
Max Planck Institute for Chemistry, Multiphase Chemistry Department, Hahn-Meitner-Weg 1, 55128 Mainz, Germany
Kurt Binder
Institut für Physik, Johannes Gutenberg-Universität, Staudinger Weg 7, 55128 Mainz, Germany
Uwe Kuhn
Max Planck Institute for Chemistry, Multiphase Chemistry Department, Hahn-Meitner-Weg 1, 55128 Mainz, Germany
Ulrich Pöschl
Max Planck Institute for Chemistry, Multiphase Chemistry Department, Hahn-Meitner-Weg 1, 55128 Mainz, Germany
Institute for Environmental and Climate Research, Jinan University, 510632 Guangzhou, China
Max Planck Institute for Chemistry, Multiphase Chemistry Department, Hahn-Meitner-Weg 1, 55128 Mainz, Germany
Max Planck Institute for Chemistry, Multiphase Chemistry Department, Hahn-Meitner-Weg 1, 55128 Mainz, Germany
Institute for Environmental and Climate Research, Jinan University, 510632 Guangzhou, China
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44 citations as recorded by crossref.
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- A Comprehensive Review of Saline Water Correlations and Data: Part II—Thermophysical Properties N. Qasem et al.
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- Synergistic Enhanced Piezocatalytic Properties of Nd-Doped BaTiO3-based Nanosheets with NaCl Assistance J. Chen et al.
- Fabrication of superhydrophobic PDTS-ZnO-PVDF membrane and its anti-wetting analysis in direct contact membrane distillation (DCMD) applications J. Li et al.
- Visualizing the crystallization of sodium chloride under supersaturated condition M. Ye et al.
- A comprehensive review of characterizing CO2-brine interfacial tension in saline aquifers using machine learning M. Saud Ul Hassan et al.
44 citations as recorded by crossref.
- Convergence of dissolving and melting at the nanoscale C. Chen et al.
- Electrowetting on glassy carbon substrates S. Kaewmorakot et al.
- A Molecular Dynamic Study of the Effects of Surface Partitioning on the OH Radical Interactions with Solutes in Multicomponent Aqueous Aerosols T. Masaya & F. Goulay
- Hygroscopic growth of aerosol particles consisted of oxalic acid and its internal mixture with ammonium sulfate for the relative humidity ranging from 80% to 99.5% C. Zhang et al.
- Second inflection point of water surface tension in the deeply supercooled regime revealed by entropy anomaly and surface structure using molecular dynamics simulations X. Wang et al.
- Non-spectral interferences in single-particle ICP-MS analysis: An underestimated phenomenon M. Loula et al.
- Ion–Ion Structural Correlation and Dynamics of Water in Aqueous NaCl Solutions with a Wide Range of Concentrations . Khushika & P. Jana
- The impact of salinity on the cohesion process of quartz substracts: A molecular dynamics study Y. Ouyang et al.
- Quantitative description of surface tension for nanodroplets containing ammonium sulfate and its application to the particle hygroscopicity prediction C. Zhang et al.
- Study on the Concentration of Acrylic Acid and Acetic Acid by Reverse Osmosis Q. Liu et al.
- Physicochemical Approach to Understanding the Structure, Conformation, and Activity of Mannan Polysaccharides A. Casillo et al.
- Thermal stability mechanism and operating temperature limit of molten chloride salts for thermal energy storage and concentrated solar power applications Z. Rong et al.
- Effect of particle shape and surface morphology on flotation: A new insight from the analysis of particle-bubble attachment G. Zheng et al.
- Computational modeling of electrolytic deposition of a single-layer silicon film on silver and graphite substrates K. Ivanichkina et al.
- Laser-induced voltage of table salt for deep ultraviolet pulsed laser detection X. Liu et al.
- Nano-hygroscopicity tandem differential mobility analyzer (nano-HTDMA) for investigating hygroscopic properties of sub-10 nm aerosol nanoparticles T. Lei et al.
- Challenges of forward osmosis desalination processes using hydrogels as draw agents S. Hashemifard et al.
- Estimates of the stochasticity of droplet dispersion by a cough S. Trivedi et al.
- Concentration-induced wettability alteration of nanoscale NaCl solution droplets on the CSH surface D. Hou et al.
- A new potential interface tension model for MPS method avoiding unphysical particle cohesion T. Fukuda et al.
- Molecular dynamics study on the surface tension of succinic acid-water nano-aerosol droplets C. Zhang et al.
- A state-of-the-art review on the liquid properties regarding energy and environmental performance in liquid desiccant air-conditioning systems J. Luo & H. Yang
- Structural, Dynamical, and Rheological Properties of KCl–Water Systems Across Varying Concentrations . Khushika et al.
- Structural evolution and thermodynamic properties of liquid-vapor transitions of molten salts in high-temperature energy storage Z. Rong et al.
- Scaled charges for ions: An improvement but not the final word for modeling electrolytes in water S. Blazquez et al.
- Gamma-irradiated janus electrospun nanofiber membranes for desalination and nuclear wastewater treatment M. Essalhi et al.
- A study on the effect of the collector properties on the fabrication of magnetic polystyrene nanocomposite fibers using the electrospinning technique A. Mohan et al.
- Water balancing actions of sodium and potassium chlorides for curcumin antioxidant activities in oil-water nanoformulations P. Malik et al.
- Molecular Dynamics Simulation Studies on Structure, Dynamics, and Thermodynamics of Uranyl Nitrate Solution at Various Acid Concentrations A. Das & S. Ali
- Molecular dynamics simulation studies elucidating interaction mechanisms and structures of salt–brine interfacial systems derived from magnesium sulfate subtype salt lakes Y. Zhong et al.
- Evolution of spray and aerosol from respiratory releases: theoretical estimates for insight on viral transmission P. de Oliveira et al.
- Distinct Behaviors between Gypsum and Silica Scaling in Membrane Distillation K. Christie et al.
- Potential Application of Rhamnolipid-Silica Nanoparticle Complex for Enhanced Oil Recovery Studied with Molecular DynamicsSimulations I. Fitri et al.
- Understanding acid-glycol switchable emulsifiers on the molecular scale M. Encheva et al.
- Molecular dynamics simulations of interfacial structure, dynamics, and interfacial tension of tetrabutylammonium bromide aqueous solution in the presence of methane and carbon dioxide P. Naeiji et al.
- Effect of size and concentration corrections for surface tension on the hygroscopicity prediction of nano-aerosols C. Zhang et al.
- A Comprehensive Review of Saline Water Correlations and Data: Part II—Thermophysical Properties N. Qasem et al.
- Effects of temperature and salinity on bubble-bursting aerosol formation simulated with a bubble-generating chamber S. Sofieva et al.
- New Multiphase Chemical Processes Influencing Atmospheric Aerosols, Air Quality, and Climate in the Anthropocene H. Su et al.
- Physicochemical and structural investigation of l-threonine/glycerol-based deep eutectic solvents using experimental and molecular modelling approaches M. Uddin et al.
- Synergistic Enhanced Piezocatalytic Properties of Nd-Doped BaTiO3-based Nanosheets with NaCl Assistance J. Chen et al.
- Fabrication of superhydrophobic PDTS-ZnO-PVDF membrane and its anti-wetting analysis in direct contact membrane distillation (DCMD) applications J. Li et al.
- Visualizing the crystallization of sodium chloride under supersaturated condition M. Ye et al.
- A comprehensive review of characterizing CO2-brine interfacial tension in saline aquifers using machine learning M. Saud Ul Hassan et al.
Saved (final revised paper)
Latest update: 02 May 2026
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.
The surface tension of aqueous NaCl (σ) is investigated by molecular dynamics simulations from...
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