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Surface Tension, Large Scale Thermodynamic Data Generation and Vapor-Liquid Equilibria of Real Compounds

In: High Performance Computing in Science and Engineering ‘13

Author

Listed:
  • Stefan Eckelsbach

    (Universität Paderborn, Lehrstuhl für Thermodynamik und Energietechnik (ThEt))

  • Svetlana Miroshnichenko

    (Universität Paderborn, Lehrstuhl für Thermodynamik und Energietechnik (ThEt))

  • Gabor Rutkai

    (Universität Paderborn, Lehrstuhl für Thermodynamik und Energietechnik (ThEt))

  • Jadran Vrabec

    (Universität Paderborn, Lehrstuhl für Thermodynamik und Energietechnik (ThEt))

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.

Suggested Citation

  • Stefan Eckelsbach & Svetlana Miroshnichenko & Gabor Rutkai & Jadran Vrabec, 2013. "Surface Tension, Large Scale Thermodynamic Data Generation and Vapor-Liquid Equilibria of Real Compounds," Springer Books, in: Wolfgang E. Nagel & Dietmar H. Kröner & Michael M. Resch (ed.), High Performance Computing in Science and Engineering ‘13, edition 127, pages 635-646, Springer.
    • Handle: RePEc:spr:sprchp:978-3-319-02165-2_44
    DOI: 10.1007/978-3-319-02165-2_44
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