Clustering of caffeine in water and its adsorption in activated carbon: Molecular simulations and experiments

Hamidréza Ramézani, Ianis Ellien, Zineb El Oufir, Nathalie Mathieu, Sandrine Delpeux, Suresh K. Bhatia

2023Colloids and Surfaces A Physicochemical and Engineering Aspects15 citationsDOI

Topics & Concepts

CaffeineChemistryMoleculeSolvationMolecular dynamicsAdsorptionHydrogen bondSolvation shellChemical physicsPhysical chemistryComputational chemistryOrganic chemistryMedicineEndocrinologyNanopore and Nanochannel Transport StudiesGraphene research and applicationsCovalent Organic Framework Applications