Multiscale Molecular Modeling of Amphiphilic Polycarboxybetaine Interactions in Hydrocarbon and Deep Eutectic Solvent Environments for Sustainable Agricultural Biodiesel Purification

2025

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DOI 10.30919/faf1940
Data confidence 70 medium
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Abstract

Amphiphilic polycarboxybetaines are zwitterionic polymers containing both hydrophilic and hydrophobic regions, with quaternary ammonium and carboxylate groups that enable aggregation and dissolution in diverse solvent environments.In this work, a multiscale molecular modeling approach was employed to investigate amphiphilic polycarboxybetaine interactions in deep eutectic