I have followed the custom.py example (solving the transport equations in python and using Cantera to calculate the thermophyscial properties) to develop a model to simulate fuel pyrolysis and soot formation in Plug Flow Reactors. When the soot formation is account the rate of production of species (wdot) should be adjusted to account for inception and growth of particles. In other words, acetylene and certain PAHs should be removed from the gas phase by subtracting the contribution of each species to the rate of growth and inception from the rate of production of that species.
The problem is that the sum of mass fractions integrated as each timestep is no longer 1, and it decreases considerably as the soot particles grow and more species are removed from the gas. This causes some mass balance issues because Cantera automatically normalizes the mass fraction obtained from integration.
I do not know how to solve this problem.
I have attached the code that contains part of the Reactor and Soot models.
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