- Author
-
Nyden, M. R.
|
Brown, J. E.
|
Lomakin, S. M.
- Title
- Molecular Dynamics Modeling of Polymer Flammability.
- Coporate
- National Institute of Standards and Technology, Gaithersburg, MD
- Book or Conf
- Materials Research Society. Materials Research Society Symposium Proceeding Volume 278. Spring Meeting. April 27-May 1, 1992,
San Francisco, CA,
47-53 p.,
1992
- Keywords
-
flammability
|
simulation
|
char formation
|
thermal degradation
|
computer models
|
crosslinking
|
equations
- Abstract
- Molecular dynamic simulations were used to identify factors which promote char formation during the thermal degradation of polymers. Computer movies based on these simulations, indicate that cross-linked model polymers tend to undergo further corss-linking when burned, eventually forming a high molecular weight, thermally stable char. This prediction was confirmed by char yield measurements made on gamma and e. - irradiated polyethylene and chemically corss-linked poly(methyl methacrylate).