Skip to main content
Journal cover image

Multi-scale mechanical and transport properties of a hydrogel.

Publication ,  Journal Article
Salahshoor, H; Rahbar, N
Published in: Journal of the mechanical behavior of biomedical materials
September 2014

In this paper, molecular dynamic simulation was used to study the effect of water on the equilibrated structure and mechanical properties of cross-linked hydrogel at multiple scales. The hydrogel consisted of Polyethylene glycol diglycidyl ether (PEGDGE) as epoxy and the Jeffamine, poly-oxy-alkylene-amines, as curing agent. The results for systems with various water contents indicated that the cross-links were more hydrophilic within the hydrogel structure. Effects of cross-linking on the transport properties were also investigated by computing diffusion coefficients of water molecules. A new Coarse-Grained (CG) scheme for hydrogels is proposed, and validated by comparing the transport properties with the all-atom method, demonstrating the capability of the model to capture the correct dynamic evolution of the system. The all-atom model of the hydrogel was mapped to the CG model using the MARTINI force field. This method resulted in a more realistic representation of the stiffness of the system, compared to the previous experimental studies in the literature. The variation of the stiffness of the hydrogel as a function of the water content showed that 40% water content is the optimal value for mechanical performance of the hydrogel.

Duke Scholars

Altmetric Attention Stats
Dimensions Citation Stats

Published In

Journal of the mechanical behavior of biomedical materials

DOI

EISSN

1878-0180

ISSN

1751-6161

Publication Date

September 2014

Volume

37

Start / End Page

299 / 306

Related Subject Headings

  • Water
  • Polyethylene Glycols
  • Motion
  • Molecular Dynamics Simulation
  • Molecular Conformation
  • Mechanical Phenomena
  • Hydrogel, Polyethylene Glycol Dimethacrylate
  • Diffusion
  • Biomedical Engineering
  • Amines
 

Citation

APA
Chicago
ICMJE
MLA
NLM
Salahshoor, H., & Rahbar, N. (2014). Multi-scale mechanical and transport properties of a hydrogel. Journal of the Mechanical Behavior of Biomedical Materials, 37, 299–306. https://doi.org/10.1016/j.jmbbm.2014.05.028
Salahshoor, Hossein, and Nima Rahbar. “Multi-scale mechanical and transport properties of a hydrogel.Journal of the Mechanical Behavior of Biomedical Materials 37 (September 2014): 299–306. https://doi.org/10.1016/j.jmbbm.2014.05.028.
Salahshoor H, Rahbar N. Multi-scale mechanical and transport properties of a hydrogel. Journal of the mechanical behavior of biomedical materials. 2014 Sep;37:299–306.
Salahshoor, Hossein, and Nima Rahbar. “Multi-scale mechanical and transport properties of a hydrogel.Journal of the Mechanical Behavior of Biomedical Materials, vol. 37, Sept. 2014, pp. 299–306. Epmc, doi:10.1016/j.jmbbm.2014.05.028.
Salahshoor H, Rahbar N. Multi-scale mechanical and transport properties of a hydrogel. Journal of the mechanical behavior of biomedical materials. 2014 Sep;37:299–306.
Journal cover image

Published In

Journal of the mechanical behavior of biomedical materials

DOI

EISSN

1878-0180

ISSN

1751-6161

Publication Date

September 2014

Volume

37

Start / End Page

299 / 306

Related Subject Headings

  • Water
  • Polyethylene Glycols
  • Motion
  • Molecular Dynamics Simulation
  • Molecular Conformation
  • Mechanical Phenomena
  • Hydrogel, Polyethylene Glycol Dimethacrylate
  • Diffusion
  • Biomedical Engineering
  • Amines