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New Generation of Fire Resistant Polymers. Part 1. Computer-Aided Molecular Design
Published
Author(s)
Marc R. Nyden, James E. Brown
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.
Proceedings Title
U.S./Japan Government Cooperative Program on Natural Resources (UJNR). Fire Research and Safety. 12th Joint Panel Meeting
Nyden, M.
and Brown, J.
(1992),
New Generation of Fire Resistant Polymers. Part 1. Computer-Aided Molecular Design, U.S./Japan Government Cooperative Program on Natural Resources (UJNR). Fire Research and Safety. 12th Joint Panel Meeting, Tsukuba, , [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=913404
(Accessed October 28, 2025)