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Computational insight into kinetic control of star polymer structure and properties

Xu, Shengyi
http://rave.ohiolink.edu/etdc/view?acc_num=akron1499466088519005

Abstract Details

2017, Master of Science in Polymer Engineering, University of Akron, Polymer Engineering.
Star polymers have been widely used in our lives. One of the more well-known applications for which star polymers in solution are widely used is hydrogels. Star polymers are used here because it is easier for them to form a network. A hydrogel is a chemically or physically crosslinked, water-swollen, natural or synthetic network. Because of their outstanding bio-compatibility and water solubility,hydrogels have the potential to transform many biomedical applications, including contact lenses, wound dressing, drug delivery and tissue engineering. But some problems limit the development of hydrogels - high expense and low mechanical properties. The first goal of this research is to focus on star polymer properties in the melt. As opposed to the star polymers in solution, we will use molecular dynamics to simulate the star polymer in the melt, with an interest in studying dynamics. Will the relaxation times of the star polymers change for different shapes of linear chain?Will star polymers have different dynamics in the vicinity of the center as compared to the free ends? Will the glass transition temperature fit with the free volume theory of Flory and Fox? Then we will study star polymers in solution, forming cross-linked hydrogels connected by permanent chemical bonds. We will kinetic control different variables to demonstrate how the chemically crosslinked network changes and what the structual features are. The simulation will be done on two kinds of hydrogels, reversible and irreversible, using Brownian dynamics to simulate the environment of crosslinking process. The variables are initial concentration, then length of precursor polymer and the rate of reaction. With the help of LAMMPS, AMDAT and MATLAB software, we hope to fully understand different properties of the star polymer in the melt and solution.
David Simmons (Advisor)
Kevin Cavicchi (Committee Member)
Min Younjin (Committee Member)
91 p.
Engineering; Polymers
glass transition temperature, star polymer,crosslink, modulus, kinetic control

Recommended Citations

Citations

  • Xu, S. (2017). Computational insight into kinetic control of star polymer structure and properties [Master's thesis, University of Akron]. OhioLINK Electronic Theses and Dissertations Center. http://rave.ohiolink.edu/etdc/view?acc_num=akron1499466088519005

    APA Style (7th edition)

  • Xu, Shengyi. Computational insight into kinetic control of star polymer structure and properties. 2017. University of Akron, Master's thesis. OhioLINK Electronic Theses and Dissertations Center, http://rave.ohiolink.edu/etdc/view?acc_num=akron1499466088519005.

    MLA Style (8th edition)

  • Xu, Shengyi. "Computational insight into kinetic control of star polymer structure and properties." Master's thesis, University of Akron, 2017. http://rave.ohiolink.edu/etdc/view?acc_num=akron1499466088519005

    Chicago Manual of Style (17th edition)

akron1499466088519005
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© 2017, all rights reserved.
This open access ETD is published by University of Akron and OhioLINK.