Modelling and simulation of chemical reaction of porous MgCl2 pellets with NH3 by including impact of heat and mass transfer and structure change

The MgCl2?NH3 reactive system is investigated in terms of heat and mass transfer coupled with chemical reaction through numerical simulation. reversible nature the captured by including adsorption desorption rate expression simultaneously. kinetic coefficients are directly adopted from literature, while those for calculated based on thermodynamic relations. impact changing pressure pellet porosity also simulations. initial temperature 300 K all Temperature, NH3 pressure, conversion distributions pellets, along swelling obtained presented as a function time. results indicated strong effects resistances pellets.