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Dynamic percolation grid Monte Carlo simulation
Altmann Nara,Halley Peter J.,Nicholson Timothy M. The Korean Society of Rheology 2007 Korea-Australia rheology journal Vol.19 No.1
A dynamic Monte Carlo percolation grid simulation is used to predict the cure behaviour of thermoset materials. Molecules are distributed in a fixed grid and a probability of reaction is assigned to each pair of neighbouring units considering both reaction rates and diffusion. The concentration and network characteristics are predicted throughout the whole curing process and compared to experimental data for an epoxy-amine matrix.
Extension of Group Interaction Modelling to predict chemorheology of curing thermosets
Altmann, Nara,Halley, Peter J.,Nicholson, Timothy M. The Korean Society of Rheology 2009 Korea-Australia rheology journal Vol.21 No.2
This paper describes an extension of viscoelastic Group Interaction Modelling (GIM) to predict the relaxation response of linear, branched and cross-linked structures. This model is incorporated into a Monte Carlo percolation grid simulation used to generate the topological structure during the isothermal cure of a gel, so enabling the chemorheological response to be predicted at any point during the cure. The model results are compared to experimental data for an epoxy-amine systems and good agreement is observed. The viscoelastic model predicts the same exponent power-law behaviour of the loss and storage moduli as a function of frequency and predicts the cross-over in the loss tangent at the percolation condition for gelation. The model also predicts the peak in the loss tangent which occurs when the glass transition temperature surpasses the isothermal cure temperature and the system vitrifies.
Extension of Group Interaction Modelling to predict chemorheology of curing thermosets
Nara Altmann,Peter J Halley,Timothy M Nicholson 한국유변학회 2009 Korea-Australia rheology journal Vol.21 No.2
This paper describes an extension of viscoelastic Group Interaction Modelling (GIM) to predict the relaxation response of linear, branched and cross-linked structures. This model is incorporated into a Monte Carlo percolation grid simulation used to generate the topological structure during the isothermal cure of a gel, so enabling the chemorheological response to be predicted at any point during the cure. The model results are compared to experimental data for an epoxy-amine systems and good agreement is observed. The viscoelastic model predicts the same exponent power-law behaviour of the loss and storage moduli as a function of frequency and predicts the cross-over in the loss tangent at the percolation condition for gelation. The model also predicts the peak in the loss tangent which occurs when the glass transition temperature surpasses the isothermal cure temperature and the system vitrifies.
Dynamic percolation grid Monte Carlo simulation
Timothy M. Nicholson,Peter J. Halley,Nara Altmann 한국유변학회 2007 Korea-Australia rheology journal Vol.19 No.1
A dynamic Monte Carlo percolation grid simulation is used to predict the cure behaviour of thermoset materials. Molecules are distributed in a fixed grid and a probability of reaction is assigned to each pair of neighbouring units considering both reaction rates and diffusion. The concentration and network characteristics are predicted throughout the whole curing process and compared to experimental data for an epoxy-amine matrix.