Development, validation, and application of a solver for non-isothermal non-adiabatic packed bed reactors

0578915 - ÚT 2024 CZ eng C - Konferenční příspěvek (zahraniční konf.)
Hlavatý, Tomáš - Isoz, Martin - Khýr, M.
Development, validation, and application of a solver for non-isothermal non-adiabatic packed bed reactors.
SNA'23 Seminar on Numerical Analysis. Ostrava: Institute of Geonics of the CAS, 2023 - (Starý, J.; Sysala, S.; Sysalová, D.), s. 18-22. ISBN 978-80-86407-85-2.
[Seminar on Numerical Analysis. Ostrava (CZ), 23.01.2023-27.01.2023]
Institucionální podpora: RVO:61388998
Klíčová slova: CFD * oxichlorination * heterogenous catalysis
Obor OECD: Chemical process engineering
https://www.ugn.cas.cz/event/2023/sna/files/sna23-sbornik.pdf

Packed bed reactors are the most frequently used devices to perform heterogeneously catalyzed reactions on industrial scales. The main contribution of our work is the development of a numerical model applicable to simulations of such reactors. The developed model is based on the finite volume method, couples the momentum, mass and energy balances, and is free of any empirical closures. As such, the solver falls into the domain of the direct numerical simulation. In the talk, we will (i) present the new solver fundamental working principles, (ii) report on the verication of each of the solver components against existing literature data and (iii) demonstrate an application of the solver on an industrially relevant case of ethylene oxichlorination performed in a tubular reactor packed with Raschig rings coated by CuCl2 catalyst.
Trvalý link: https://hdl.handle.net/11104/0350355