(723c) Conformational Statistics of Ribbon-like Polymers | AIChE

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(723c) Conformational Statistics of Ribbon-like Polymers

Authors 

Michaels, W. - Presenter, Stanford University
Qin, J., Shriram Center
Spakowitz, A., Stanford University
The conformational statistics of ribbon-like polymers such as ladder polymers and conjugated polymers cannot be adequately described as wormlike chains (WLC). The WLC model fails to capture the anisotropic bending modes of nearly coplanar oligomers that can twist and are bendable only along the out-of-plane direction. We develop a statistical model for ribbon-like chains, which contains two unequal bending moduli and a twist modulus, and which includes the WLC and 2D polymers as limiting cases. Predictions of conformational statistics such as the tangent-tangent autocorrelation and the moments of the end-to-end separation are presented. The results are compared with atomistic simulations of conjugated polymers to estimate the stiffness characterizing deformations at small length scales.

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