Self-assembly of binary solutions to complex structures
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A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
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Date
2021-07-07
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en
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10
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Journal of Chemical Physics, Volume 155, issue 1
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 a 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 toward 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.Description
Funding Information: This work was supported by the Academy of Finland under Grant Nos. 309324 (M.S.) and 307806 and 312298 (T.A.-N.). T.A.-N. was also supported by a Technology Industries of Finland Centennial Foundation TT2020 grant. We are grateful for support from the FinnCERES Materials Bioeconomy Ecosystem. Computational resources by CSC IT Centre for Finland and RAMI (RawMatters Finland Infrastructure) are also gratefully acknowledged Publisher Copyright: © 2021 Author(s).
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Scacchi, A, Sammalkorpi, M & Ala-Nissila, T 2021, ' Self-assembly of binary solutions to complex structures ', Journal of Chemical Physics, vol. 155, no. 1, 014904 . https://doi.org/10.1063/5.0053365