Am solving a problem which involves melting and gas phase decomposition of TNT(explosive). I intend to represent these two scenarios in my simulation using solidification/melting model and Chemkin-CFD. The solidification/melting model will take care of phase transition from solid to liquid whiles the Chemkin-CFD will take care of the gas phase reactions during decomposition since i got many elementary reactions to deal with. I have completed the the first part which is melting but am finding problems combining with the decomposition gas phase reactions. Is it advisable to just replace the TNT solid with TNTgas whiles preparing the chemkin thermodata file? Will that alone solve the problem?I even tried that but got divergence problem which am battling with.
Right now, am considering using a simple global reaction in conjunction with the melting and solidification model or i go for condensation and evaporation which is a multiphase option in Fluent instead. In this case i assume a sublimation phenomena from solid straight to gas phase where decomposition reaction will occur. Or is there a possibility of combining both models since the two phenomena ie melting and evaporation happens in the process?
Find a link to the animated results of the melting & temperature distribution done so far without reaction yet and other details you might wanna see. Please your technical advice is always welcomed.
In the the link i shared, you can also find the various case files combination of models i have made so far. Melting with multiphase(vof) or Species transport seems to be working but when i combine the three models, the AMG problem. All the details are in the link.
https://www.dropbox.com/sh/nz25uxkth3wueac/AACpAEcjJMA9lgMskMPEBJ6Ja
Daniel Owusu
Graduate Research Assistant
Process Systems Engineering Lab
Hanbat National University
South Korea
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