2023 AIChE Annual Meeting

Session: Polymer Simulations 2

Chair

Mayank Misra, Cornell University

Co-Chair

Jonathan Whitmer, University of Notre Dame

Presentations

03:30 PM

(597a) Combining Particle and Field-Theoretic Polymer Models with Multi-Representation Simulations
Joshua Lequieu

04:00 PM

(597b) Investigating the Effect of Chain Length Dispersity on Dynamics of Homopolymer Melts from Coarse Grained Molecular Dynamics
Taofeek Tejuosho, Janani Sampath

04:15 PM

(597i) A Data-Driven Closure for Polymer Integral Equation Theory
Thomas Gartner, Zhihao Feng

04:30 PM

(597d) Slip-Link Model for Polydisperse Melts in Industrial Processes
Marat Andreev, Jonathan Moore, Jeffrey D. Weinhold, Gregory Rutledge

04:45 PM

(597e) Kinetics of Tandem Solution Polymerization of Customized Comb-Branched Polyolefin Thermoplastic Elastomer: With Machine Learning
Kan Liu, Pingwei Liu, Wen-Jun Wang, Qiulin Li, Luo Liqiong, Guifa Xu

05:00 PM

(597f) Understanding Morphological Changes in Semi-Crystalline Polymers during Depolymerization Using Kinetic Monte Carlo
SriBala Gorugantu, Sabin Adhikari, Nicholas A. Rorrer, Bonnie L. Buss, Gregg T. Beckham, Sanat K. Kumar, Robert D. Allen, Linda J. Broadbelt, Ana R. C. Morais

05:15 PM

(597g) Multiscale Simulations of Solid-State Redox-Active Polymers for Energy Storage
Riccardo Alessandri, Juan J. de Pablo

05:30 PM

(597h) Correlations in Hard- and Soft-Core Generic Polymer Models
Qiang Wang

05:45 PM

(597c) Dynamics of a Supported Polycarbonate Thin Film Via Atomistic Simulation: Film Thickness and Temperature Effects
Lilian Johnson, Frederick Phelan