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Molecular Dynamics Modeling of Polymer Flammability

Published online by Cambridge University Press:  26 February 2011

Marc R. Nyden ,
James E. Brown  and
S. M. Lomakin
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
Information
MRS Online Proceedings Library (OPL) , Volume 278: Symposium W – Computational Methods in Materials Science , 1992 , 47
Copyright
Copyright © Materials Research Society 1992

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References

1. Nyden, M.R., Forney, G.P. and Brown, J.E., Macromolecules 25, 1658 (1992).Google Scholar
2. Nyden, M.R. and Noid, D.W., Phys. Chem. 95, 940 (1991).Google Scholar
3. Lomakin, S.M., Brown, J.E., Breese, R.S. and Nyden, M.R., Pol. Deg. and Stab., manuscript in prqxaraion.Google Scholar
4. Annual Bock of ASTM Standards 05.21 (1991).Google Scholar