Applications of reactive molecular dynamics to the study of the thermal decomposition of polymers and nanoscale structures

Materials Science and Engineering: A - Tập 365 - Trang 114-121 - 2004
Marc R Nyden1, Stanislav I Stoliarov2, Phillip R Westmoreland2, Z.X Guo3, Caroline Jee3
1Building and Fire Research Laboratory, National Institute of Standards and Technology, Gaithersburg, MD 20899 USA
2Department of Chemical Engineering, University of Massachusetts, Amherst, MA 01003-9303, USA
3Department of Materials, Queen Mary, University of London, Mile End Road, London E1 4NS, UK

Tài liệu tham khảo

Brenner, 2000, Phys. Status Solidi B, 217, 23, 10.1002/(SICI)1521-3951(200001)217:1<23::AID-PSSB23>3.0.CO;2-N Rappe, 1997, Mol. Eng., 7, 385, 10.1023/A:1008264127580 Sinnott, 1999, Chem. Phys. Lett., 315, 25, 10.1016/S0009-2614(99)01216-6 Stuart, 2000, J. Chem. Phys., 112, 6472, 10.1063/1.481208 M.R. Nyden, in: A.F. Grand, C.A. Wilkie (Eds.), Fire Retardancy of Polymeric Materials, Marcel Dekker, New York, 2000, pp. 501–532. Stoliarov, 2003, Polymer, 44, 883, 10.1016/S0032-3861(02)00761-9 Nyden, 1992, Macromolecules, 25, 1658, 10.1021/ma00032a007 Nyden, 1997, Polym. Eng. Sci., 37, 1496, 10.1002/pen.11798 M.R. Nyden, in: Proceedings of the International Aircraft Fire and Cabin Safety Research Conference, Atlantic City, NJ, 1998. Dauber-Osguthorpe, 1988, Structure, Funct. Genet., 4, 31, 10.1002/prot.340040106 Nyden, 1981, J. Chem. Phys., 75, 1843, 10.1063/1.442208 Petersson, 1991, J. Chem. Phys., 94, 6091, 10.1063/1.460448 Montgomery, 1994, J. Chem. Phys., 101, 5900, 10.1063/1.467306 Ochterski, 1996, J. Chem. Phys., 104, 2598, 10.1063/1.470985 Tuzun, 1998, Macromol. Theory Simul., 7, 203, 10.1002/(SICI)1521-3919(19980301)7:2<203::AID-MATS203>3.0.CO;2-6 Discover 95, User Guide, Biosym/MSI, San Diego, CA, 1995. Kashiwagi, 1989, Polym. Degrad. Stab., 26, 161, 10.1016/0141-3910(89)90007-4 S.L. Madorsky, Thermal Degradation of Organic Polymers, Interscience, New York, 1964.