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Molecular Dynamics Modeling of Polymer Flammability

Published online by Cambridge University Press:  26 February 2011

Marc R. Nyden
Affiliation:
Budlding and Fire Research Laboratory, National Institute of Standards and Technology, Gaithersburg, MD 20899
James E. Brown
Affiliation:
Budlding and Fire Research Laboratory, National Institute of Standards and Technology, Gaithersburg, MD 20899
S. M. Lomakin
Affiliation:
Institute of Chemical Physics, Russian Academy of Sciences, Moscow B-334, Russia
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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 cross-linking when burned, eventually forming a high molecular weight, thermally stable char. This prediction was confirmed by char yield measurements made on γ and e - irradiated polyethylene and chemically cross-linked poly(methyl methacrylate).

Type
Research Article
Copyright
Copyright © Materials Research Society 1992

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References

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