- Author
- Nyden, M. R. | Brown, J. E.
- Title
- New Generation of Fire Resistant Polymers. Part 1. Computer-Aided Molecular Design.
- Coporate
- National Institute of Standards and Technology, Gaithersburg, MD
- Book or Conf
- U.S./Japan Government Cooperative Program on Natural Resources (UJNR). Fire Research and Safety. 12th Joint Panel Meeting. October 27-November 2, 1992, Building Research Inst., Ibaraki, Japan Fire Research Inst., Tokyo, Japan, ['Tsukuba, Japan', 'Tokyo, Japan'], 257-266 p., 1992
- Keywords
- fire safety | fire research | polymers | computers | degradation | equations | crosslinking | thermal degradation
- Identifiers
- molecular design; molecular dynamics model
- 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.