Speaker
Description
The exposure of liquids to pressurized gases induces gas adsorption at the interface, its diffusion into the bulk, and liquid swelling. Neutron imaging of systems from deuterated liquids (hydrocarbons, water) and protium-containing gases (H$_2$, CH$_4$, C$_2$H$_6$) at up to 100 bar and near-ambient temperatures provides interface shape, liquid level, and concentration distribution over time. Interfacial tension, apparent molar volume, diffusivity, and solubility of the gas in the liquid are thus used to calibrate the molecular dynamics model. The contributions are summarized as: $i$) the technical improvements that led us to the $2^\text{nd}$ generation of the neutron imaging process [1-3], $ii$) lessons learned for the neutron imaging and molecular interpretation of three-phase systems (gas, two liquids) [4], and $iii$) simulation-based predictions of physico-chemical properties at industrially relevant temperatures and pressures [5] beyond the reach of the neutron imaging setup.
REFERENCES
[1] J. Šercl et. al, J. Radioanal. Nucl. Chem., 334 (2025) 8921–8928. https://doi.org/10.1007/s10967-025-10561-w.
[2] O. Vopička et. al, Springer Nature Proceedings, 2026, pp. 1–7. https://doi.org/10.1007/978-3-032-15003-5_6.
[3] J. Lee et. al, Sci. Rep., 15 (2025) 25835. https://doi.org/10.1038/s41598-025-09425-w.
[4] M. Melčák et. al, Adv. Mater. Interfaces, (2026) e00786. https://doi.org/10.1002/admi.202500786.
[5] M. Melčák et. al, Sci. Rep., 15 (2025) 1284. https://doi.org/10.1038/s41598-024-85093-6.
ACKNOWLEDGEMENT
Authors acknowledge the financial support obtained from Czech Science Foundation (GACR) and Swiss National Science Foundation (SNSF), GACR number 23-04741K, SNSF number 200021E_213197. This work is based on experiments performed at the Swiss spallation neutron source SINQ, Paul Scherrer Institute, Villigen, Switzerland. Experiments were conducted at NEUTRA thermal neutron imaging beamline at the Paul Scherrer Institute.