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

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 Mn = 850 were determined.