Dear support,
I am currently integrating a particle-level model into MFiX. The model considers the solid particles (could be implemented in PIC or CGP) as composed by several internal mesh nodes. In each of them, the convection, diffussion and reactions are solved, allowing then for a Progressive Conversion Model instead of the usual Uniform Conversion Model.
For the model to run, it requires, as boundaries, the temperature, velocity and composition of the surrounding gas. As an output, each of the reacting particles will affect the energy balance of their corresponding cell, as well as it will provide a source of the gas species that leave the particles.
So far, the model has been integrated into MFiX and it runs with an independent time step. I have modified the convection coefficient of the reacting particles to that of Agarwal (it is more appropriate according to the literature). The model is able to read the conditions of the corresponding cell, performing the code and shrinking the particles and changing their density accordingly.
My problem comes now when integrating the chemistry in MFiX. I would like to use the already implemented chemical reactions in MFiX for the homogeneous reactions of the gas phase. However, for the heterogeneous reactions, I would like just to implement the particle-level chemistry (already written in the code) so that MFiX just “sees” it as a source of specific gas species and an energy source resorting from the energy balance due to the reactions occurring in each of the particles.
I am not sure if this can be easily implemented. I was thinking about only implementing the chemistry of the gas phase and modifying the code for the species and energy, but I am not sure how/where it could be done, and I would like to know if there is some piece of advice from your side.
Support for this is highly appreciated, as it could open a lot of new options. In fact, the code is provided with many options to activate and deactivate the chemistry, and it could serve, for example, to easily calculate internal particle conduction, as I have seen in a previous topic.
I have then some questions on how to implement DMP, but I may ask them in the future once the model is running in series.
I am sorry I cannot share the code, but it is currently under development. If more details are needed please do not hesitate to contact me.
Thank you and best regards,
Eduardo