Surface tension, large scale thermodynamic data generation and vapor-liquid equilibria of real compounds

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Abstract

The surface tension of oxygen and nitrogen was calculated using molecular dynamics simulation. Due to the inhomogeneity of the system, the long range correction approach of Janeček [1] was used. The results regarding the temperature dependence of the surface tension were compared to simulation data by Neyt et al. [2] and experimental data.

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Eckelsbach, S., Miroshnichenko, S., Rutkai, G., & Vrabec, J. (2013). Surface tension, large scale thermodynamic data generation and vapor-liquid equilibria of real compounds. In High Performance Computing in Science and Engineering ’13: Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2013 (pp. 635–646). Springer International Publishing. https://doi.org/10.1007/978-3-319-02165-2_44

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