Self-assembly of binary solutions to complex structures

Abstract

Self-assembly in natural and synthetic molecular systems can create complex aggregates or materials whose properties and functionalities rise from their internal structure and molecular arrangement.The key microscopic features that control such assemblies remain poorly understood, nevertheless. Using classical density functional theory we demonstrate how the intrinsic length scales and their interplay in terms of interspecies molecular interactions can be used to tune soft matter self-assembly. We apply our strategy to two different soft binary mixtures to create guidelines for tuning intermolecular interactions that lead to transitions from fully miscible, liquid-like uniform state to formation of simple and core-shell aggregates, and mixed aggregate structures. Furthermore, we demonstrate how the interspecies interactions and system composition can be used to control concentration gradients of component species within these assemblies. The insight generated by this work contributes towards understanding and controlling soft multi-component self-assembly systems. Additionally, our results aid in understanding complex biological assemblies and their function and provide tools to engineer molecular interactions in order to control polymeric and protein-based materials, pharmaceutical formulations, and nanoparticle assemblies.

Dioctyl sodium sulfosuccinate surfactant self-assembly dependency of solvent hydrophilicity: a modelling study

“…131 Additionally, the a 11s1 system also exhibits a second, now long-ranged, repulsive barrier. Such form, often referred to as short-ranged attraction and long-ranged repulsion (SARL), is known to give rise to microphase-separation, 132 mixed particles in binary mixtures, 133 and clustering in both passive 134 and active systems. 135 Note that in the following discussion we assume that the common phase response of Lennard-Jones-like particles is valid also for the surfactant systems.…”

Spontaneous pattern formation in monolayers of binary mixtures with competing interactions

“…Only recently, several models for inhomogeneous binary mixtures were introduced and studied using theory and simulations. [36][37][38][39][40][41][42] As far as we know, experimental studies of self-assembly induced by the electrostatic and Casimir potentials were restricted to particles of the same type. [43][44][45] As a result, fundamental questions such as the symmetries of the ordered phases and the sequence of patterns for varying chemical potentials and temperature in mixtures with competing interactions remain open.…”