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At the limits of simulation: A new method to predict thermal degradation behavior in cyanate esters and nanocomposites using molecular dynamics simulation

Baggott, A, Bass, JR, Hall, SA, Hamerton, I, Howlin, BJ, Mooring, L and Sparks, D (2014) At the limits of simulation: A new method to predict thermal degradation behavior in cyanate esters and nanocomposites using molecular dynamics simulation Macromolecular Theory and Simulations, 23 (6). pp. 369-372.

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Abstract

Despite their inability to model bond breaking molecular dynamics simulations are shown to predict thermal degradation temperatures of polycyanurate (cyanate ester) homopolymers and nanocomposites in very close agreement with experimental data. Simulated polymer density, used to predict T also shows a reduction within the same temperature range as experimental values for the thermal degradation. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Item Type: Article
Authors :
NameEmailORCID
Baggott, AUNSPECIFIEDUNSPECIFIED
Bass, JRUNSPECIFIEDUNSPECIFIED
Hall, SAUNSPECIFIEDUNSPECIFIED
Hamerton, IUNSPECIFIEDUNSPECIFIED
Howlin, BJUNSPECIFIEDUNSPECIFIED
Mooring, LUNSPECIFIEDUNSPECIFIED
Sparks, DUNSPECIFIEDUNSPECIFIED
Date : July 2014
Identification Number : 10.1002/mats.201300141
Depositing User : Symplectic Elements
Date Deposited : 28 Mar 2017 13:11
Last Modified : 31 Oct 2017 16:53
URI: http://epubs.surrey.ac.uk/id/eprint/805911

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