Paper Number
SM19 

Session
Polymers Solutions, Melts and Blends

Title
Stochastic kinetic theory applied to nonequilibrium polymer simulations

Presentation Date and Time
October 11, 2022 (Tuesday) 10:10

Track / Room
Track 2 / Sheraton 3

Authors (Click on name to view author profile)

1. Zhu, Shangren (Rensselaer Polytechnic Institute)
2. Underhill, Patrick T. (Rensselaer Polytechnic Institute)

Author and Affiliation Lines (in printed abstract book)
Shangren Zhu and Patrick T. Underhill
Rensselaer Polytechnic Institute, Troy, NY 12304

Speaker / Presenter 
Zhu, Shangren

Keywords
theoretical methods; computational methods; flow-induced instabilities; polymer melts; polymer solutions

Text of 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. For example, a non-Newtonian constitutive equation is the output of the model (rather than needed as an input). In this talk, we will introduce the concept of stochastic kinetic theories and how we applied it to concentrated polymers. We will then describe the initial validations to quantify the accuracy and examine the limits of applicability of the method.