Sodium chloride-water mixture
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Sodium chloride (NaCl) in water.
Models[edit]
Solubility[edit]
References[edit]
- ↑ David E. Smith and Liem X. Dang "Computer simulations of NaCl association in polarizable water", Journal of Chemical Physics 100 3757 (1994)
- ↑ In Suk Joung and Thomas E. Cheatham "Determination of Alkali and Halide Monovalent Ion Parameters for Use in Explicitly Solvated Biomolecular Simulations", Journal of Physical Chemistry B 112 pp. 9020-9041 (2008)
- ↑ Martin Lísal, William R. Smith and Jiří Kolafa "Molecular Simulations of Aqueous Electrolyte Solubility: 1. The Expanded-Ensemble Osmotic Molecular Dynamics Method for the Solution Phase", Journal of Physical Chemistry B 109 pp. 12956-12965 (2005)
- ↑ Eduardo Sanz and Carlos Vega "Solubility of KF and NaCl in water by molecular simulation", Journal of Chemical Physics 126 014507 (2007)
- ↑ Andrew S. Paluch, Saivenkataraman Jayaraman, Jindal K. Shah, and Edward J. Maginn "A method for computing the solubility limit of solids: Application to sodium chloride in water and alcohols", Journal of Chemical Physics 133 124504 (2010)
- ↑ Andrew S. Paluch, Saivenkataraman Jayaraman, Jindal K. Shah, and Edward J. Maginn "Erratum: "A method for computing the solubility limit of solids: Application to sodium chloride in water and alcohols", Journal of Chemical Physics 137 039901 (2012)
- ↑ J. L. Aragones, E. Sanz, and C. Vega "Solubility of NaCl in water by molecular simulation revisited", Journal of Chemical Physics 136 244508 (2012)
- ↑ Heather Wiebe, Johan Louwersheimer and Noham Weinberg "Molecular dynamic studies of the solubility of sodium chloride: fast calculations using seed crystalline cluster probe", Molecular Physics 113 pp. 3176-3181 (2015)
- ↑ A. L. Benavides, J. L. Aragones and C. Vega "Consensus on the solubility of NaCl in water from computer simulations using the chemical potential route", Journal of Chemical Physics 144 124504 (2016)
Related reading
- M. Paula Longinotti, Marcelo A. Carignano, Igal Szleifer, and Horacio R. Corti "Anomalies in supercooled NaCl aqueous solutions: A microscopic perspective", Journal of Chemical Physics 134 244510 (2011)
- Zoltan Mester and Athanassios Z. Panagiotopoulos "Mean ionic activity coefficients in aqueous NaCl solutions from molecular dynamics simulations", Journal of Chemical Physics 142 044507 (2015)
- Ivo Nezbeda, Filip Moučka and William R. Smith "Recent progress in molecular simulation of aqueous electrolytes: force fields, chemical potentials and solubility", Molecular Physics 114 pp. 1665-1690 (2016)
- J. R. Espinosa, J. M. Young, H. Jiang, D. Gupta, C. Vega, E. Sanz, P. G. Debenedetti and A. Z. Panagiotopoulos "On the calculation of solubilities via direct coexistence simulations: Investigation of NaCl aqueous solutions and Lennard-Jones binary mixtures", Journal of Chemical Physics 145 154111 (2016)
- Jiří Kolafa "Solubility of NaCl in water and its melting point by molecular dynamics in the slab geometry and a new BK3-compatible force field", Journal of Chemical Physics 145 204509 (2016)
- Amal Kanta Giri, Eckhard Spohr "Cluster formation of NaCl in bulk solutions: Arithmetic vs. geometric combination rules", Journal of Molecular Liquids 228 pp. 63-70 (2017)
- A. L. Benavides, M. A. Portillo, V. C. Chamorro, J. R. Espinosa, J. L. F. Abascal, and C. Vega "A potential model for sodium chloride solutions based on the TIP4P/2005 water model", Journal of Chemical Physics 147 104501 (2017)