Mesoscale modeling of microgel mechanics and kinetics through the swelling transition

doi:10.1007/s10483-018-2259-6

Applied Mathematics and Mechanics (English Edition) ›› 2018, Vol. 39 ›› Issue (1): 47-62.doi: https://doi.org/10.1007/s10483-018-2259-6

Mesoscale modeling of microgel mechanics and kinetics through the swelling transition

S. NIKOLOV¹, A. FERNANDEZ-NIEVES², A. ALEXEEV¹

1. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, GA 30332, U. S. A;
2. School of Physics, Georgia Institute of Technology, Atlanta, GA 30332, U. S. A

收稿日期:2017-09-24 修回日期:2017-11-10 出版日期:2018-01-01 发布日期:2018-01-01
通讯作者: A. ALEXEEV E-mail:alexander.alexeev@me.gatech.edu
基金资助:
Project supported by the National Science Foundation of U. S. A. (Nos. DMR-1255288, DMR-1609841, and DGE-1650044)

Mesoscale modeling of microgel mechanics and kinetics through the swelling transition

S. NIKOLOV¹, A. FERNANDEZ-NIEVES², A. ALEXEEV¹

1. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, GA 30332, U. S. A;
2. School of Physics, Georgia Institute of Technology, Atlanta, GA 30332, U. S. A

Received:2017-09-24 Revised:2017-11-10 Online:2018-01-01 Published:2018-01-01
Contact: A. ALEXEEV E-mail:alexander.alexeev@me.gatech.edu
Supported by:
Project supported by the National Science Foundation of U. S. A. (Nos. DMR-1255288, DMR-1609841, and DGE-1650044)

摘要/Abstract

摘要：

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.

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

Abstract:

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

中图分类号:

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

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Mesoscale modeling of microgel mechanics and kinetics through the swelling transition

Mesoscale modeling of microgel mechanics and kinetics through the swelling transition

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