Prediction of Polymer Compatibility for Polymer Electrolytes Using Semi-empirical Quantum Chemical Method
Year: 2024
Type: article
Abstract: The article proposes a method for predicting the compatibility of polymers for polymer electrolytes using the semi-empirical PM3 method, as well as the PM3 method using boundary conditions called a periodic box. Using the proposed method, a compatibility prediction was made for polymer pairs: ethylene-propylene rubber and polyethylene, polyvinylidene fluoride and hydrogenated nitrile butadiene rubber.
Authors: D. V. EZHOV, A. N. GAYDADIN, V. V. KLIMOV
Institution: Volgograd State Technical University
Language: English
Subfield: Electrical and Electronic Engineering
Field: Engineering
Domain: Physical Sciences
Open Access status: diamond
OpenAlex ID: W4405554899