Polymerization Visualization

This model shows a chain growth polymerzation (with some simplifying assumptions). It includes a matlab .m file where you can change the parametrers (described in the .m file) and videos with a few select parameter sets. The high monomer concentration; fast termination case is shown to the right.

Download link

Distribution Model

This model describes the distribution and conversion of a chain growth synthesis. The download link contains a matlab .m and .fig file necessary to run the model.

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The following videos demonstrate the conformations of polymers in a solvent.

Chain Length Effect

This video shows polyemrs of various lengths in a solvent. The blue chain is 10 monomers long, the red is 50, the gray is 100, the yellow is 500, and the green is 1000. The relative size and diffusion rates of each length is readily apparent.

Solvent Quality Effect

This video shows polymer that are 500 monomers long under different qualities of solvent. The increasing radius of gyration (R_g) with solvent quality is readily apparent.

Blue   >   Red   >   Gray   >  Yellow  >  Green
Poor Solvent >>> Theta Solvent >>> Good Solvent

Contraction of a Stretched Chain Caused by Entropy

This video shows a polymer chain that is stretched initial and then contracts because of the higher entropy of the coiled state. The chain is held in the stretched state for the first half of the movie, and then released and allowed to equilibrate. The end beads are shown in red and enlarged so that they are easy to identify.

This software uses python and moltemplate to allow users to build atomistic bottlebrush models. Currently limited to PS sidechains and Norbornene backbones. Download zip file below.

Download link

You can also clone from our git repository: https://gitlab.com/Andrew-Peters/GroupWebpage.githttps://gitlab.com/Andrew-Peters/GroupWebpage.git