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Mesoscale Simulation of the Structure of Star AcrylatedPoly(ethylene glycol-co-lactide) Hydrogels

Published online by Cambridge University Press:  20 January 2012

Seyed Sina Moeinzadeh  and
Esmaiel Jabbari
Seyed Sina Moeinzadeh
Affiliation:
Biomimetic Materials and Tissue Engineering Laboratory, University of South Carolina Columbia, SC 29208, U.S.A.
Esmaiel Jabbari
Affiliation:
Biomimetic Materials and Tissue Engineering Laboratory, University of South Carolina Columbia, SC 29208, U.S.A.
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Abstract

In this work the microstructures of star acrylated poly(ethyleneglycol-co-lactide) (SPELA) with different LA:EG ratios in the aqueoussolution have been simulated via Dissipative Particle Dynamics (DPD)approach at the mesoscale. The system components were coarse-grained intodifferent beads (set of atoms) which moved according to the Newton’sequations of motion integrated via a modified Velocity-Verlet algorithm. Theforce acting on each bead, in a specific cutoff distance (rc),was divided into a conservative force (FC), random force (FR), dissipativeforce (FD), bond force (FS) and bond angle force (FE). The repulsionparameters of the conservative force (αij) were calculated fromthe solubility parameter of the beads, each of which were extracted from anatomistic molecular dynamics simulation (MD). Simulations showed theformation of micelles with lactide and acrylate beads occupied the core andhydrophilic ethylene oxide segments extending through the water to form thecorona. The micelles showed an increasing trend in size and decreasing trendin number density with increase in LA:EG ratio. Results showed that theacrylate density decreased from the center of the micelles to the coresurface although the overall amount of acrylates increased due to theincrease in volume. Furthermore, the running integration number ofacrylate-water beads showed decreasing accessibility of acrylates to waterwith increasing PLA volume fraction.

Keywords

polymerizationsimulationmicrostructure

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Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 1418: Symposium LL/MM – Gels and Biomedical Materials , 2012 , mrsf11-1418-ll07-08
Copyright
Copyright © Materials Research Society 2012

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References

REFERENCES

1.Bryant, S.J. and Anseth, K.S., J. Biomed. Mater. Res. 59, 63 (2001).CrossRefGoogle Scholar
2.Bryant, S.J. and Anseth, K.S., J. Biomed. Mater. Res. 64, 70 (2003).Google Scholar
3.Sarvestani, AS., Xu, W., He, X. and Jabbari, E., Polymer. 48, 7113 (2007).10.1016/j.polymer.2007.10.007Google Scholar
4.Posocco, P., Fermeglia, M. and Price, S., J. Mater. Chem. 20, 7742 (2010).CrossRefGoogle Scholar
5.Oberti, T.G., Cortizo, M.S., Alessandrini, J.L., J. Macromol. Sci. 47, 725 (2010).CrossRefGoogle Scholar
6.Rey, A., Freire, J.J., Bishop, M. and Clarke, J.H.R., Macromolecules 25, 1311 (1992).Google Scholar
7.Groot, R.D. and Madden, T.J., J. Chem. Phys. 108, 8713 (1998).CrossRefGoogle Scholar
8.Guo, X., Zhang, L., Qian, Y. and Zhou, J., Chem. Eng. J. 131, 195 (2007).CrossRefGoogle Scholar
9.Wang, Y.C., Lee, W.J. and Ju, S.P., J. Chem. Phys. 131, 124901 (2009).CrossRefGoogle Scholar
10.Xu, Y., Feng, J., Liu, H. and Hu, Y., Mol. Simul. 32, 375 (2006).10.1080/08927020600765003CrossRefGoogle Scholar
11.Xia, J. and Zhong, C., Macromol., R. Commun. 27, 1110 (2006).Google Scholar
12.Groot, R.D. and Warren, P.B., J. Chem. Phys. 107, 4423 (1997).CrossRefGoogle Scholar
13.Fioroni, M., Burger, K., Mark, A.E. and Roccatano, D., J. Phys. Chem. 105B, 10967 (2001).10.1021/jp012476qCrossRefGoogle Scholar