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Molecular Modeling of Polymer Flammability: Application to the Design of Flame-Resistant Polyethylene

Published

Author(s)

Marc R. Nyden, Glenn P. Forney, James E. Brown

Abstract

Molecular dyanmic simulations of the thermal degradation of polyethylene were used to idenfity factors which might be effective in reducing polymer flammability by promoting the formation of a residual char. Computer movies of the calculated trajectories indicate that corss-linked polymers, such as those obtained from exposure of polyethylene to ionizing radiation, will undergo further corss-linking when burned, eventually forming a high molecular weight, thermally stable char. This prediction was confirmed in flammability tests of gamma-ray-irradiated polyethylene.
Citation
Macromolecules
Volume
25
Issue
No. 6

Keywords

polyethylenes, flammability, thermal degradation, char, crosslinking, molecular weight, simulation, validation, ionizing radiation

Citation

Nyden, M. , Forney, G. and Brown, J. (1992), Molecular Modeling of Polymer Flammability: Application to the Design of Flame-Resistant Polyethylene, Macromolecules, [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=912809 (Accessed June 5, 2023)
Created January 1, 1992, Updated February 19, 2017