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cond-mat.soft2025
Influence of Dispersity on the Relaxation of Entangled Polymers from Molecular Dynamics Simulations
Taofeek Tejuosho, Janani Sampath
Nonequilibrium molecular dynamics simulations are used to study the deformation behavior of disperse polymer melts by tracking test chains of length N = Mw, the weight average mole…
cond-mat.soft2024
Hydroxide Transport and Mechanical Properties of Polyolefin-Based Anion Exchange Membranes from Atomistic Molecular Dynamics Simulations
Mohammed Al Otmi, Ping Lin, William Schertzer +3
Anion exchange membranes are used in alkaline fuel cells and offer a promising alternative to the more expensive proton exchange membrane fuel cells. However, hydroxide ion conduct…
cond-mat.soft2023
Evolution of Free Volume Elements in Amorphous Polymers Undergoing Uniaxial Deformation: a Molecular Dynamics Simulation Study
Brendan Wernisch, Mohammed Al Otmi, Egan Beauvais +1
Amorphous polymers are considered promising materials for separations due to their excellent transport properties and low fabrication costs. The separation performance of a membran…