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physics.chem-ph2026
Composition-Dependent Self-Diffusion Coefficients in Liquid Mixtures from Hybrid Machine Learning
Jens Wagner, Thomas Specht, Hans Hasse +1
Self-diffusion coefficients are key descriptors of molecular mobility, yet experimental data remain scarce, highlighting the need for reliable prediction methods. In previous work,…
physics.chem-ph2026
Measurements of Diffusion Coefficients of CO in 1-Butanol with a New Laminar Jet Apparatus and PFG-NMR, Pointing to Interfacial Mass Transfer Effects
Oliver Großmann, Sarah Mross, Jens Wagner +3
A novel laminar jet apparatus (LJA) was constructed for precise gas-liquid mass transfer measurements up to 12 bar, significantly extending the technique's operating window. It was…
physics.chem-ph2026
Hybrid Machine Learning for Enhanced Prediction of Diffusion Coefficients in Liquids
Jens Wagner, Zeno Romero, Kerstin Münnemann +4
Diffusion coefficients are key thermophysical properties for modeling mass transport in liquids, but experimental data are scarce, making reliable prediction methods indispensable.…