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Author

P. A. Marcos

2 papers indexed here

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Open access Sep 2026

Hydrophobic Natural Deep Eutectic Solvents for Sustainable CO2 Capture: Molecular Insights From Multiscale Modeling

This research delves into the physicochemical properties and CO2 capture ability of a hydrophobic natural deep eutectic solvent (HNADES) consisting of piperitone (PIP) and linoleic acid in a 1:1 molar ratio. Through a multiscale computational approach involving COSMO‐RS calculations, quantum chemistry methods, and mole...

N. Aguilar, S. Rozas, P. A. Marcos et al. · 0 citations
Open access Sep 2026

Structure-Based Prediction and Ranking of PFAS Groundwater Mobility for EU Drinking Water Regulation

The EU Drinking Water Directive (2020/2184) mandates monitoring of 20 priority per- and polyfluoroalkyl substances (PFAS) from January 2026, yet predicting which PFAS structures pose the greatest groundwater contamination risk remains challenging. We present a machine learning framework that simultaneously predicts t...

Sergio de-la-Huerta-Sainz, Ozge Ozkilinc, Valentín Diez-Cabanes et al. · 0 citations

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