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Stochastic kinetic theory applied to nonequilibrium polymer simulations

ORAL

Abstract

Stochastic kinetic theories are a relatively new approach for simulating nonequilibrium situations using field equations. We have applied this approach to polymers for the first time. Although it is coarse-grained relative to equilibrium polymer field theory, this approach naturally applies to nonequilibrium situations. It also provides more detail than present in two-fluid models. This new method is particularly important for charged polymers in which fluctuations and correlations of free ions impact structure and phase separation. In this talk, we will introduce the application of stochastic kinetic theories to concentrated polymers. We will quantify the accuracy and show how it can be used to examine dynamics and response to flow.

Presenters

  • Patrick T Underhill

    Rensselaer Polytechnic Institute

Authors

  • Patrick T Underhill

    Rensselaer Polytechnic Institute

  • Shangren Zhu

    Rensselaer Polytechnic Institute