Scrolling in Supramolecular Gels [dataset]

Gelation by small molecules is enormously topical in catalysis, nanomaterials, drug delivery and pharmaceutical crystallisation. The way in which gelators self-organise to give a 3D gel network is poorly understood. Based on analysis of structural and gelation data in conjunction with molecular dynamics simulations, this work uses a lamellar scrolling model to shows how gelator aggregation progresses from a continuous pattern of supramolecular motifs to a network of fibres with well-defined morphologies. The model gives insight onto the reason why gel fibres are homogeneous and how gels arise by scrolling of sheets with asymmetric surface structures while similar surface energies give rise to crystallization.