Abstract
The paper presents a numerical algorithm for conjugated reactive transport at two spatial scales, in application to \(C0_2\) chemosorption. Transport at the macroporous scale (intergranular space) is supported by both the fluid flow and diffusion. At the microporous scale diffusion is assumed as the only transport mechanism. The mathematical model used in this research operates with two parameters that are unavailable from laboratory measurements, they are reaction rate and diffusion coefficient in the microporous space. We present a series of numerical experiments to calibrate these parameters to match the laboratory-measured rates of the concentration changes rates.
The research was done under the support of RSCF grant no. 21-71-20003. Numerical simulations were performed using the supercomputer facilities of Siant-Petersburg Polytechnic University.
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Lisitsa, V., Khachkova, T., Bazaikin, Y., Derevschikov, V. (2022). Simulation of \(CO_2\) Sorption from the Gas Stream by the Grain of Soda-Lime Sorbent. In: Gervasi, O., Murgante, B., Misra, S., Rocha, A.M.A.C., Garau, C. (eds) Computational Science and Its Applications – ICCSA 2022 Workshops. ICCSA 2022. Lecture Notes in Computer Science, vol 13382. Springer, Cham. https://doi.org/10.1007/978-3-031-10592-0_25
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