2023 AIChE Annual Meeting

Session: Polymer Simulations

Chair

Jonathan Whitmer, University of Notre Dame

Co-Chair

Mayank Misra, Cornell University

Presentations

12:30 PM

(587a) Mechanical Properties of Polymer Blends Compatibilized with Multiblock Copolymers
Ryan Collanton, Kevin D. Dorfman

12:45 PM

(587b) Mechanistic Modeling of Polyethylene Terephthalate Glycolysis Using Kinetic Monte Carlo Framework
SriBala Gorugantu

01:00 PM

(587c) Simulation of Polymer Crystal Nucleation at Shallow Undercoolings
Chinmay Gangal, Gregory Rutledge

01:15 PM

(587d) Comparison of the Stability of Perpendicular Lamellae Formed By Linear Block Copolymers and Their Cyclic Analogs
Rahul Kumar, Henry Ashbaugh, Julie Albert

01:30 PM

(587e) Particle-Based Simulations of Chiral Block Copolymers Yields Insights into Thermodynamics
Natalie Buchanan, Poornima Padmanabhan

02:00 PM

(587f) Self-Assembly and Mechanical Response of a Model Silk Fibroin
Jeongae Kim, Yunfeng Shi, Runye (Helen) Zha

02:15 PM

(587g) Mesogen Alignment in Liquid Crystal Elastomer (LCE) Under Mechanical Stress: From Bulk to Confinement
Chuqiao Chen, Viviana Palacio-Betancur, Annie Zhi, Stuart J. Rowan, Juan J. de Pablo

02:30 PM

(587h) Reaxff Reactive Force Field Model Enables Accurate Prediction of Physiochemical and Mechanical Properties of Crystalline and Amorphous Shape-Memory Polyurethane
Mohammad Masirul Afroz, Yun Kyung Shin, Adri C. T. van Duin, Katie Li-Oakey

02:45 PM

(587i) Experimentally Validated Simulation of Self-Assembled Morphologies and Gas Transport Properties in PS-b-Pdmaema / [EMIM][SCN] Membranes
Sasan Nouranian, Azam Salmankhani, Paul Scovazzo, Alexander Lopez, Adam E. Smith