Regensburg 2025 – scientific programme

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DY: Fachverband Dynamik und Statistische Physik

DY 22: Poster: Statistical Physics

DY 22.23: Poster

Wednesday, March 19, 2025, 10:00–12:00, P3

Precise Estimation of the Liquid-Gas Critical Point of Water — •Mayank Sharma and Peter Virnau — Institute of Physics, Johannes Gutenberg University Mainz

We perform Molecular Dynamics simulations to investigate the liquid-gas critical point for the TIP4P water model. In the canonical (NVT) ensemble, density fluctuations are quantified and analyzed using a recently developed method [1] based on cumulant crossings. Complementary simulations in the isothermal-isobaric (NPT) ensemble yield density and energy distributions, which are mapped onto the universal 3D Ising master curve via histogram reweighting. The critical points determined by the two approaches exhibit very good agreement, highlighting the robustness of this methodology. This work establishes a reliable framework for accurately locating the critical point which is applied to test the influence of ionic conditions on the latter.

[1] J.T. Siebert et al., Phys. Rev. E (R) 98, 030601 (2018).

Keywords: critical point; water; simulation