Communications

Molecular dynamics simulation of the electrical conductivity of α,ω-bis(3-aminopropyl)polydimethylsiloxane

G. I. Makarov

South Ural State University (National Research University), 454080 Chelyabinsk, Russian Federation

Аннотация: For promising self-healing electrical insulating polymers based on polydimethylsiloxanes, the possibility of the occurrence of electric charge carriers as a result of the rearrangement of polyorganosiloxane chains by the mechanism of ionic siloxane equilibrium was theoretically investigated. Using molecular dynamics modeling, the contributions of silanol anions and silyl cations to the electrical conductivity of α,ω -bis(3-aminopropyl)polydimethylsiloxane APDMS850 with a number-average molecular weight M_n = 850 were determined.

Ключевые слова: molecular dynamics, polydimethylsiloxanes, electrical conductivity, siloxane equilibrium, compressibility, silanol anion

Поступила в редакцию: 27.03.2025
Принята в печать: 28.04.2025

Язык публикации: английский

DOI: 10.71267/mencom.7778

Реферативные базы данных:

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