Influence of the molecular geometry on the formation of the self- assembled structures

L Baran, JOURNAL OF MOLECULAR LIQUIDS, 294, 111627 (2019).

DOI: 10.1016/j.molliq.2019.111627

This paper presents simulations of the molecular dynamics and off- lattice Monte Carlo devoted to investigate self-assembly process of molecules with tetrapod architecture. Formation of diverse supramolecular networks were found, which were characterized by several structure and order parameters, such as two-dimensional structure factors and nematic order parameters. Moreover, it follows from the aforementioned functions that one of the most important factors driving the self-assembly phenomena is the molecular architecture and the presence of directional interactions. (C) 2019 Elsevier B.V. All rights reserved.

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