Sodium chloride-water mixture: Difference between revisions
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*[http://dx.doi.org/10.1080/00268976.2016.1165296 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)] | *[http://dx.doi.org/10.1080/00268976.2016.1165296 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)] | ||
*[http://dx.doi.org/10.1063/1.4964725 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)] | *[http://dx.doi.org/10.1063/1.4964725 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)] | ||
*[http://dx.doi.org/10.1063/1.4968045 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)] | |||
Revision as of 11:41, 1 December 2016
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Sodium chloride (NaCl) in water.
Models
Solubility
References
- ↑ 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)