2022 Annual Meeting

Session: Polymer Simulations: Methods and Applications

Chair

Poornima Padmanabhan, Rochester Institute of Technology

Co-Chairs

Thomas Gartner, Princeton University
Wenlin Zhang, Dartmouth College
Janani Sampath, University of Florida
Dylan Anstine, University of Florida

Presentations

03:30 PM

(561a) Predicting Mixing Free Energy for Polymers with Atomistic Simulations
Enrique D. Gomez, Puja Agarwala, Scott T. Milner

03:45 PM

(561b) Thermodynamic Modeling of the Polydispersity Influence on the Solubility of Ternary Semicrystalline Polymer-Solvent Systems
Michael Fischlschweiger, Tim Zeiner, Zengxuan Fan

04:00 PM

(561c) An Efficient Hybrid Algorithm Combining Kinetic Monte Carlo and Continuum Model for Radical Polymerization
Yue Fang, Hanyu Gao

04:15 PM

(561d) Coarse-Grain Models with a Parameterizable Friction Coefficient: Recovering Structure, Dynamics, and Viscosity in Polymer Melts
Lilian Johnson, Frederick Phelan

04:30 PM

(561e) Coarse-Grained Modeling of Ion Transport in Salt-Doped and Single-Ion Block Copolymers
Lisa Hall

05:00 PM

(561f) A Multiscale Strategy for Predicting Radiation Damage in Polymers
Anthony Yoshimura, Matthew Kroonblawd, Nir Goldman, Amitesh Maiti, James Lewicki, Andrew Saab

05:15 PM

(561g) Investigating Effectiveness of Diethylhydroxylamine (DEHA) As Inhibitor for Oxygen-Involved Polymer Fouling Using Automatically Generated Multi-Phase Kinetics Model
Hao-Wei Pang, William Green, Michael Forsuelo, Xiaorui Dong, Ryan Hawtof

05:30 PM

(561h) Multiscale Modeling of the Structure and Permeability of Self-Assembled Stratum Corneum Lipid Membranes
Parashara Shamaprasad, Christopher Iacovella, Chloe Frame, Annette Bunge, Clare McCabe

05:45 PM

(561i) Refinement of Coarse-Grained Bonded Potential Dynamics in Chemically-Specific Molecular Dynamics Models of Polymers
Lilian Johnson, Frederick Phelan