371196 Self-Entanglement of a Single Polymer Chain Confined in a Cubic Box

Tuesday, November 18, 2014: 5:30 PM
International 9 (Marriott Marquis Atlanta)
Sachin Shanbhag, Scientific Computing, Florida State University, Tallahassee, FL and Arturo V. Uzcategui, Florida State University, Tallahassee, FL

We study the self-entanglement of a single linear polymer chain confined to a cubic box (L * L * L) using the bond-fluctuation lattice model and primitive path analysis. We probe chains with number of monomers between N = 30 and 750, and degree of confinement L/Rg0 between 0.4 and 12, where Rg0 is the radius of gyration of an unconfined polymer. We found that the conformational properties Rg/Rg0 and Lp/Rg0, where Lp is the average primitive path length, collapsed onto a single master curve as a function of the degree of confinement. In the strongly confined regime, L/Rg0 << 1, we found that Rg/Rg0 ~ (L/Rg0)0.8, and Lp/Rg0 ~ (L/Rg0)-2. We verify that  simulation methodology used is quantitatively consistent with experimental data and the Colby-Rubinstein entanglement model for unconfined concentrated polymer solutions. The most significant difference between unconfined and confined systems is the variation of Lp with monomer density φ; Lp ~ φ5/9, in the former, and Lp ~ φ2/3, in the latter.

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