Swelling, collapse and ordering of rod-like microgels in solution: Computer simulation studies

Polymer microgels have proven to be highly promising macromolecular objects for a wide variety of applications. In particular, the soft particles of an anisotropic (rod-like) shape are of special interest because of their potential use in tissue engineering or materials design. However, a little is known about the physical behavior of such microgels in solution, which inspired us to study them using mesoscopic computer simulations. For single networks, depending on the solvent quality, the dimensional character-istics were obtained for microgels of different molecular weight, crosslinking density and aspect ratio. In particular, the conditions for the rod-to-rod (preserving the nonspherical shape) and rod-to-sphere col-lapse were found. In addition, the effect of the liquid-crystalline (LC) ordering was demonstrated for the ensemble of rod-like microgels at different swelling ratios, and the influence of microgel aspect ratio on the volume fraction of the LC transition was shown.(c) 2022 Elsevier Inc. All rights reserved.