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Fabricating Degradable Thermoresponsive Hydrogels on Multiple Length Scales via Reactive Extrusion, Microfluidics, Self-assembly, and Electrospinning

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Structure formation in nanocomposite hydrogels.

Di Xu¹, Dilip Gersappe¹

¹Department of Material Science and Chemical Engineering, Stony Brook University, Stony Brook, NY 11794, USA. dilip.gersappe@stonybrook.edu.

|February 9, 2017

Summary

This summary is machine-generated.

Disk-like nanofillers create ordered structures in nanocomposite hydrogels, enhancing their mechanical properties. These findings are crucial for designing advanced polymer materials with tunable strength.

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Area of Science:

Materials Science
Polymer Chemistry
Computational Chemistry

Background:

Physically associating nanocomposite hydrogels offer tunable properties.
Understanding structure-property relationships is key for material design.

Purpose of the Study:

Investigate structure formation in nanocomposite hydrogels using molecular dynamics simulations.
Analyze the impact of disk-like nanofiller concentration on hydrogel structure, dynamics, and mechanics.

Main Methods:

Employed molecular dynamics simulations.
Modeled nanofillers as rigid disks and physical crosslinks via polymer-nanofiller attraction.
Studied varying nanofiller volume fractions.

Main Results:

Observed percolated network formation with increasing filler fraction.
Identified locally ordered structures due to disk anisotropy, despite global disorder.
Noted significant polymer caging effects in the gel state.
Disk-like nanofillers proved more effective in strengthening hydrogels than spherical ones.

Conclusions:

Disk-like nanofillers induce anisotropic ordering, enhancing hydrogel mechanics.
Simulation results provide insights into designing stronger nanocomposite hydrogels.