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I am trying to make a mathematical model for a heated tube in which ammonia flow

April 23, 2024

I am trying to make a mathematical model for a heated tube in which ammonia flows and from the heating on the walls it breaks down into hydrogen and nitrogen. Basically, at the moment, I am trying to solve the Navier-Stokes equations with the method of lines for turbulent flow and I have written a code but the solution does not converge. Probably some problem with the way I have set the boundary conditions. And for that, I am now trying to implement it at least in laminar flow. I would like to point out some things and ask what are possible. In case someone isn’t, it’s not a problem
I can attempt them on my own, I would just need support. -The final goal of the work is the simulation of the pipe model mentioned in the original application. This means that the final code will solve the Navier-Stokes equations for compressible, viscous, turbulent flow with the method of lines and will logically need the form of the equations used for fluid mixtures, since during the simulation, the ammonia gas will break down inside the tube to hydrogen and nitrogen due to heat transfer from the walls. Application to simpler cases is also desirable if the full case turns out to be too complicated/difficult and to benchmark the code
Part of the work is also the confirmation and comparison of the code with commercial software, both in terms of speed and accuracy of the results. Specifically ANSYS and OpenFOAM. So I would ideally like to use these programs as well. If not ANSYS which probably needs a subscription, with OpenFOAM which is free. -I would like the code to be done in Matlab or Python. – As the work is for a master’s degree in mathematics, so part of the importance must be given to the mathematical method, I would also be interested in some results of a ‘mathematical nature’ such as stability analysis or some optimization process of the method, after the above is finished
In case the method of lines is not suitable for solving the problem/simulation, it will be necessary to apply another method more common in CFD such as finite elements or volume. – Although I don’t necessarily want the text of the paper to be written, I would like to be informed about the theory used and the process followed to solve the problem. To have access to and study papers that may have been used, to be given an equal explanation of the code and how the theory is applied within it, etc.
since I have a meeting with my supervising professor every week I would like to be able to present to him the progress and the process in these meetings and not suddenly show up with a finished work (this is one reason I ask for the relevant update, although it is not necessary to be weekly and there is no problem if it is not possible). In the notes you will find some of the work I have already done and I have made a large part of the code for many of the cases, although it does not give suitable results, something for which I have some theories as to why it might be happening

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