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Solubility of NaCl in water by molecular simulation revisited.
Aragones JL, Sanz E, Vega C. Aragones JL, et al. Among authors: sanz e. J Chem Phys. 2012 Jun 28;136(24):244508. doi: 10.1063/1.4728163. J Chem Phys. 2012. PMID: 22755588
In this paper, the solubility of NaCl in water is evaluated by using computer simulations for three different force fields. The condition of chemical equilibrium (i.e., equal chemical potential of the salt in the solid and in the solution) is obtained at room temperature a …
In this paper, the solubility of NaCl in water is evaluated by using computer simulations for three different force fields. The condition of …
The melting temperature of the most common models of water.
Vega C, Sanz E, Abascal JL. Vega C, et al. Among authors: sanz e. J Chem Phys. 2005 Mar 15;122(11):114507. doi: 10.1063/1.1862245. J Chem Phys. 2005. PMID: 15836229
The melting temperature of ice I(h) for several commonly used models of water (SPC, SPC/E,TIP3P,TIP4P, TIP4P/Ew, and TIP5P) is obtained from computer simulations at p = 1 bar. Since the melting temperature of ice I(h) for the TIP4P model is now known [E. Sanz …
The melting temperature of ice I(h) for several commonly used models of water (SPC, SPC/E,TIP3P,TIP4P, TIP4P/Ew, and TIP5P) is obtain …
457 results