Surfactant self-assembly and micelle elongation in reline : structural basis and driving forces
Sodium dodecyl sulfate (SDS) forms elongated micelles in urea:choline chloride deep eutectic solvent (DES), unlike its spherical aggregates in water. To understand the driving forces, we employed a multiscale simulation approach combining coarse-grained (CG) (Martini 3) and backmapped atomistic (CHARMM36) models. Simulations confirmed that micelle elongation increases with higher urea:choline chlo
