2022 Annual Meeting

Session: Polymer Simulations: Methods and Applications

Chair

Padmanabhan, P., Rochester Institute of Technology

Co-Chairs

Gartner, T. III, Princeton University
Zhang, W., Dartmouth College
Sampath, J., University of Florida
Anstine, D., University of Florida

Presentations

03:30 PM

(561a) Predicting Mixing Free Energy for Polymers with Atomistic Simulations

03:45 PM

(561b) Thermodynamic Modeling of the Polydispersity Influence on the Solubility of Ternary Semicrystalline Polymer-Solvent Systems

04:00 PM

(561c) An Efficient Hybrid Algorithm Combining Kinetic Monte Carlo and Continuum Model for Radical Polymerization

04:15 PM

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

04:30 PM

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

05:00 PM

(561f) A Multiscale Strategy for Predicting Radiation Damage in Polymers

05:15 PM

(561g) Investigating Effectiveness of Diethylhydroxylamine (DEHA) As Inhibitor for Oxygen-Involved Polymer Fouling Using Automatically Generated Multi-Phase Kinetics Model

05:30 PM

(561h) Multiscale Modeling of the Structure and Permeability of Self-Assembled Stratum Corneum Lipid Membranes

05:45 PM

(561i) Refinement of Coarse-Grained Bonded Potential Dynamics in Chemically-Specific Molecular Dynamics Models of Polymers