Collect. Czech. Chem. Commun.
2010, 75, 617-635
https://doi.org/10.1135/cccc2009097
Published online 2010-05-31 22:03:19
Thermodynamics and structure of the {water + methanol} system viewed from three simple additive pair-wise intermolecular potentials based on the rigid molecule approximation
Ana Dopazo-Paz, Paula Gómez-Álvarez and Diego González-Salgado*
Department of Applied Physics, Faculty of Sciences, University of Vigo, As Lagoas s/n, C.P. 32004, Ourense, Spain
Crossref Cited-by Linking
- Rahbari A., Hens R., Jamali S. H., Ramdin M., Dubbeldam D., Vlugt T. J. H.: Effect of truncating electrostatic interactions on predicting thermodynamic properties of water–methanol systems. Molecular Simulation 2019, 45, 336. <https://doi.org/10.1080/08927022.2018.1547824>
- González-Salgado D., Zemánková K., Noya E. G., Lomba E.: Temperature of maximum density and excess thermodynamics of aqueous mixtures of methanol. The Journal of Chemical Physics 2016, 144. <https://doi.org/10.1063/1.4948611>
- Gómez-Álvarez Paula, González-Salgado Diego, Bazile Jean-Patrick, Bessieres David, Plantier Frederic: Excess second-order thermodynamic derivatives of the {2-propanol+water} system from 313.15K to 403.15K up to 140MPa. Experimental and Monte Carlo simulation study. Fluid Phase Equilibria 2013, 358, 7. <https://doi.org/10.1016/j.fluid.2013.08.007>
- de Villiers Adriaan J., Schwarz Cara E., Burger Andries J.: New Association Scheme for 1-Alcohols in Alcohol/Water Mixtures with sPC-SAFT: The 2C Association Scheme. Ind. Eng. Chem. Res. 2011, 50, 8711. <https://doi.org/10.1021/ie200521k>
- Vega Carlos, Abascal Jose L. F.: Simulating water with rigid non-polarizable models: a general perspective. PCCP 2011, 13, 19663. <https://doi.org/10.1039/c1cp22168j>
- Guevara-Carrion Gabriela, Vrabec Jadran, Hasse Hans: Prediction of self-diffusion coefficient and shear viscosity of water and its binary mixtures with methanol and ethanol by molecular simulation. The Journal of Chemical Physics 2011, 134. <https://doi.org/10.1063/1.3515262>
