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New Generation of Fire Resistant Polymers. Part 1. Computer-Aided Molecular Design.


pdf icon New Generation of Fire Resistant Polymers. Part 1. Computer-Aided Molecular Design. (414 K)
Nyden, M. R.; Brown, J. E.

U.S./Japan Government Cooperative Program on Natural Resources (UJNR). Fire Research and Safety. 12th Joint Panel Meeting. October 27-November 2, 1992, Tsukuba, Japan, Building Research Inst., Ibaraki, Japan Fire Research Inst., Tokyo, Japan, 257-266 pp, 1992.

Keywords:

fire safety; fire research; polymers; computers; degradation; equations; crosslinking; thermal degradation

Abstract:

Molecular dynamics modeling and experimental measurements are used to identify factors which reduce flammability by promoting the formation of heat resistant chars during the thermal degradation of polymers. Computer movies of the calculated trajectories reveal that cross-linked model polymers tend to undergo further cross-linking when burned. The presence of strong potential energy interactions with a surface or filler further facilitates the formation of high molecular weight, thermally stable chars.