Mesoscale modeling of microgel mechanics and kinetics through the swelling transition

doi:10.1007/s10483-018-2259-6

Abstract

Abstract:

The mechanics and swelling kinetics of polymeric microgels are simulated using a mesoscale computational model based on dissipative particle dynamics. Microgels are represented by a random elastic network submerged in an explicit viscous solvent. The model is used to probe the effect of different solvent conditions on the bulk modulus of the microgels. Comparison of the simulation results through the volume phase transition reveals favorable agreement with Flory-Rehner's theory for polymeric gels. The model is also used to examine the microgel swelling kinetics, and is found to be in good agreement with Tanaka's theory for spherical gels. The simulations show that, during the swelling process, the microgel maintains a nearly homogeneous structure, whereas deswelling is characterized by the formation of chain bundles and network coarsening.

Key words: phreatic flow equation, nonlinear, splitting method, finite difference method, Picard iteration, hydrogels, dissipative particle dynamics, soft matter, micromechanics

2010 MSC Number:

S. NIKOLOV, A. FERNANDEZ-NIEVES, A. ALEXEEV. Mesoscale modeling of microgel mechanics and kinetics through the swelling transition. Applied Mathematics and Mechanics (English Edition), 2018, 39(1): 47-62.

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