Programme

O.14 -- Oral, VCTP-49

Date: Friday, 2 August 2024

Time: 15:05 - 15:30

Thermophysical Properties of Hydrogen in Brine

Hai Hoang (1), Tu Khai Nam Nguyen (1), Halla Kerkache (2), Salaheddine Chabab (2) and Guillaume Galliéro (2)

(1) Institute of Fundamental and Applied Sciences, Duy Tan University, Tran Nhat Duat Street, District 1, Ho Chi Minh City, Vietnam (2) Universite de Pau et des Pays de l’Adour, E2S UPPA, CNRS, LFCR, UMR5150, Pau, France

Hydrogen is considered a viable solution for storing surplus renewable energy through electrolysis [1]. This leads to a requirement for efficient hydrogen storage solutions. Deep saline aquifers, which offer vast storage capacity and widespread distribution, are promising options for such storage [2]. The optimization of such storage systems requires accurate knowledge of hydrogen’s thermophysical properties such as solubility, diffusivity, surface tension … in these conditions [2]. However, obtaining experimental data on these properties is challenging or insufficient due to the complexity and the extreme conditions of underground geological formations. Molecular simulations have emerged as effective alternatives to experiments in dealing with such situations [3]. This presentation will introduce advanced simulation methods including Monte-Carlo and Molecular Dynamics [3], and present some simulation results on the solubility and diffusivity of H2 in NaCl brine at high pressures and high temperatures [4-5]. In particular, physical interpretations on the results will also be discussed [4-5]. In addition, some correlations based on the simulation results have been developed to predict the solubility and diffusivity of H2 in brine. References [1] Letcher, T. M., Law, R., and Reay, D. (2016). Storing energy: with special reference to renewable energy sources (Vol. 86). Amsterdam: Elsevier [2] Raad, S. M. J., Leonenko, Y., and Hassanzadeh, H. (2022). Hydrogen storage in saline aquifers: Opportunities and challenges. Renewable and Sustainable Energy Reviews, 168, 112846. [3] Frenkel, D., and Smit, B. (2001). Understanding molecular simulation: from algorithms to applications (Vol. 1). Elsevier. [4] Kerkache, H., Hoang, H., Cézac, P., Galliéro, G., Chabab, S. (2024). The solubility of H2 in NaCl brine at high pressures and high temperatures: Molecular simulation study and thermodynamic, Journal of Molecular Liquids, 124497. [5] Kerkache, H., Hoang, H., Nguyen, T. K. N., Galliéro, G., Chabab, S. (2024). Assessment of H2 diffusion in the context of underground storage: equilibrium and non-equilibrium molecular dynamics. To be submitted (June-2024)

Presenter: Hoang Hai