Mesoscale modeling of microgel mechanics and kinetics through the swelling transition  

作　　者：S.NIKOLOV A.FERNANDEZ-NIEVES A.ALEXEEV 

机构地区：[1]Woodruff School of Mechanical Engineering, Georgia Institute of Technology [2]School of Physics, Georgia Institute of Technology

出　　处：《Applied Mathematics and Mechanics(English Edition)》2018年第1期47-62,共16页应用数学和力学（英文版）

基　　金：Project supported by the National Science Foundation of U.S.A.(Nos.DMR-1255288,DMR-1609841,and DGE-1650044)

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.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：soft matter dissipative particle dynamics MICROMECHANICS HYDROGELS 

分 类 号：O3[理学—力学]