Applying Reaction Source Term to Microparticles

[samanjalilian]

The washcoat consists of porous microparticles and we are not willing to create the internal structure (nanopores and micropores) of each microparticle. Also, as we know, the reaction in the washcoat takes place inside the microparticles' nanopores. On the other hand, since we have not physically created the internal structure of microparticles, we can not apply reaction source terms to each individual nanopore. So, our method to overcome this hurdle is to run the previous paper's code for a wide range of microparticles with different diameters, microporosities, and average Damkohler numbers. Next, we define an interpolation function that for each microparticle takes 3 input parameters (diameter, microporosity, and average Damkohler number) and return the total rate of reaction for that particle. We apply this function as a source term to all microparticles. The function automatically analyzes each microparticle and applies an appropriate reaction rate based on its 3 mentioned parameters. The output of this function for four different average Damkohler numbers is shown below. (Top left=2e-7, Top right=2e-4, Bottom left =2e-3, Bottom right=2e1.):

[masoodmoghaddam]

This is the first step of upscaling procedure in our multiscale method. In the first step we should find the reactivity of the particles with different microprosity, diameter and average pore Damkohler number.