Mesoscale modeling of microgel mechanics and kinetics through the swelling transition
- 422 Downloads
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 wordssoft matter dissipative particle dynamics micromechanics hydrogels
Chinese Library ClassificationO631
2010 Mathematics Subject Classification65C35 82C80 82B26
Unable to display preview. Download preview PDF.
- Douglas, A. M., Fragkopoulos, A. A., Gaines, M. K., Lyon, L. A., Fernandez-Nieves, A., and Barker, T. H. Dynamic assembly of ultrasoft colloidal networks enables cell invasion within restrictive fibrillar polymers. Proceedings of the National Academy of Sciences, 114, 885–890 (2017)CrossRefGoogle Scholar
- Ye, C. H., Nikolov, S. V., Calabrese, R., Dindar, A., Alexeev, A., Kippelen, B., Kaplan, D. L., and Tsukruk, V. V. Self-(un)rolling biopolymer microstructures: rings, tubules, and helical tubules from the same material. Angewandte Chemie International Edition, 54, 8490–8493 (2015)CrossRefGoogle Scholar
- Ye, C. H., Nikolov, S. V., Geryak, R. D., Calabrese, R., Ankner, J. F., Alexeev, A., Kaplan, D. L., and Tsukruk, V. V. Bimorph silk microsheets with programmable actuating behavior: experimental analysis and computer simulations. ACS Applied Materials and Interfaces, 8, 17694–17706 (2016)CrossRefGoogle Scholar
- Pivkin, I. V., Peng, Z. L., Karniadakis, G. E., Buffet, P. A., Dao, M., and Suresh, S. A Biomechanics of red blood cells in human spleen and consequences for physiology and disease. Proceedings of the National Academy of Sciences of the United States of America, 114, E4521 (2017)Google Scholar
- De Gennes, P. G. Scaling Concepts in Polymer Physics, Cornell University Press, New York (1979)Google Scholar
- Hirotsu, S. Coexistence of phases and the nature of first-order phase transition in poly-N-isopropylacrylamide gels. Responsive Gels: Volume Transitions II, Springer, Berlin, Heidelberg, 1–26 (1993)Google Scholar
- Patil, N., Soni, J., Ghosh, N., and De, P. Swelling-induced optical anisotropy of thermoresponsive hydrogels based on poly (2-(2-methoxyethoxy) ethyl methacrylate): deswelling kinetics probed by quantitative Mueller matrix polarimetry. The Journal of Physical Chemistry B, 116, 13913–13921 (2012)CrossRefGoogle Scholar