Crystallization of model alkane and polyethylene systems was investigated with atomistic molecular dynamics simulations. Spontaneous crystallizations of alkane and polyethylene systems from the melt state were observed at the room temperature. Structural properties such as order parameters and entanglement lengths during crystallizations were analyzed to gain insight into the mechanism of crystallization of polyethylene.

Crystallization of polyethylene investigated by molecular dynamics simulations

ACS Spring Meeting 2021

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