Kinetics and percolation: coke in heterogeneous catalysts
نویسندگان
چکیده
Abstract In the conventional lattice percolation models, bonds or sites are open at random, whereas in reality there is often interplay of and kinetics under consideration. An interesting practically important example hydrocarbon conversion occurring a reactor containing ∼ 1 mm-sized porous pellets with catalytic nanoparticles deposited walls nanopores. Such heterogeneous reactions accompanied by coke formation deactivating blocking pores for reactant diffusion, so that one needs to remove from time e.g. via reaction oxygen. Herein, I first present generic coarse-grained Monte Carlo simulations single pellet emphasis on regime influenced diffusion pores. Then, obtained distributions used similar removal. This combination models has allowed me illustrate qualitatively new spatio-temporal regimes processes For example, removal can be slow beginning, due oxygen near external pellet-gas interface preventing its penetration central part pellet, then fast when pathways center become open.
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ژورنال
عنوان ژورنال: Journal of Physics A
سال: 2022
ISSN: ['1751-8113', '1751-8121']
DOI: https://doi.org/10.1088/1751-8121/ac5d81