- 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).