A Comparative Study of TIP4P-2005, SPC/E, SPC, and TIP3P-Ew Models for Predicting Water Transport Coefficients Using EMD and NEMD Simulations
Author:
Publisher
Pleiades Publishing Ltd
Subject
Energy Engineering and Power Technology,Condensed Matter Physics,Modeling and Simulation,Environmental Engineering
Link
https://link.springer.com/content/pdf/10.1134/S1810232823010113.pdf
Reference41 articles.
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2. Lee, S.H., Temperature Dependence of the Thermal Conductivity of Water: A Molecular Dynamics Simulation Study Using The SPC/E Model, Mol. Phys., 2014, vol. 112, pp. 2155–2159; https://doi.org/ 10.1080/00268976.2014.891769.
3. Lee, S.H. and Kim, J., Transport Properties of Bulk Water at 243–550 K: A Comparative Molecular Dynamics Simulation Study Using SPC/E, TIP4P, and TIP4P/2005 Water Models, Mol. Phys., 2019, vol. 117, pp. 1926–1933; https://doi.org/10.1080/00268976.2018.1562123.
4. Guevara-Carrion, G., Vrabec, J., and Hasse, H., Prediction of Self-Diffusion Coefficient and Shear Viscosity of Water and Its Binary Mixtures with Methanol and Ethanol by Molecular Simulation, J. Chem. Phys., 2011, vol. 134; https://doi.org/10.1063/1.3515262.
5. Müller-Plathe, F., Reversing the Perturbation in Nonequilibrium Molecular Dynamics: An Easy Way to Calculate the Shear Viscosity of Fluids, Phys. Rev. E, Stat. Phys., Plasmas, Fluids, Relat. Interdiscip. Top., 1999, vol. 59, pp. 4894–4898; https://doi.org/10.1103/PhysRevE.59.4894.
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