2020 Virtual AIChE Annual Meeting

Session: Polymer Simulations: Molecular Structure and Function

Chair

Jian Qin, Shriram Center

Co-Chair

Lisa Hall, The Ohio State University

Presentations

08:00 AM

(606a) Thermodynamics and Kinetics of the Self-Assembly of Multiblock Oligomers
Fernando Escobedo

08:15 AM

(606c) Thermodynamics of Litfsi in Poly(ethylene oxide)-Based Electrolytes
Chao Fang, Rui Wang, Whitney S. Loo

08:30 AM

(606d) Molecular Simulation of CO2 Sorption Effects on Structure and Local Dynamics of Polystyrene Melts
Eleonora Ricci, Niki Vergadou, Georgios G. Vogiatzis, Maria Grazia De Angelis, Doros N. Theodorou

08:45 AM

(606f) Molecular Dynamics Simulations Predict That Semiconducting Polymers Behave As Ribbons
Samuel E. Root, Darren Lipomi

09:00 AM

(606g) Computational Study of MOF-Polymer Compatibility in Mixed Matrix Membranes
Sanket Deshmukh, Abhishek Sose, Samrendra Singh

09:15 AM

(606h) Building an Atomistic Model for Highly-Doped PEDOT Oligomers
Wesley Michaels, Jian Qin

09:30 AM

(606i) Highly Stable Two-Dimensional Polyarylene Materials and Interfaces
Steven Lustig, Jan W. Andzelm, Eric D. Wetzel