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DOI: https://doi.org/10.20537/vm170410

Abstract: The article considers a high-order accuracy algorithm for modelling the dynamics of multicomponent reactive gas taking into account the processes of diffusion, thermal conductivity and chemical reactions, based on WENO schemes. Computations for gas flow in a flowing reactor for thermal ethane pyrolysis with external heating of the reaction zone are carried out. The velocity of gas motion in explored flows is much less then sound velocity in gas mixture, which motivates using the Navier–Stokes equations in approximation of low Mach numbers for describing the processes under study. Computation of chemical kinetics equations is singled out as a separate step. The velocity of chemical reactions is defined by Arrhenius expressions. The ethane pyrolysis kinetic scheme is used for constructing the model, which is a branched radical mechanism. Computations of subsonic gas flow taking into account the processes of diffusion, chemical reactions and their thermal effects for different temperature of heating elements are carried out. Comparison with experimental data shows that $1.97\,\%$ conversion of ethane is reached at $648^{\circ}$C at the outflow of metal reactor. This result is close to $2.1\,\%$, which is obtained by experiment. Comparison of experimental data of thermal ethane pyrolysis with numerical experimental data shows a high level of reliability of the results obtained.

Keywords: Navier–Stokes equations, weno scheme, pyrolysis of ethane.

Funding agency	Grant number
Russian Science Foundation	17-71-30014
Ministry of Education and Science of the Russian Federation	1.6958.2017/8.9
Russian Academy of Sciences - Federal Agency for Scientific Organizations	0303-2016-0017

Received: 18.10.2017

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Citation: R. V. Zhalnin, E. E. Peskova, O. A. Stadnichenko, V. F. Tishkin, “Modeling the flow of a multicomponent reactive gas using high accuracy algorithms”, Vestn. Udmurtsk. Univ. Mat. Mekh. Komp. Nauki, 27:4 (2017), 608–617

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This publication is cited in the following articles:

1. I. M. Gubaydullin, R. V. Zhalnin, V. F. Masyagin, E. E. Peskova, V. F. Tishkin, “Numerical simulation of propane pyrolysis in a flow chemical reactor under the influence of constant external heating”, Math. Models Comput. Simul., 13:3 (2021), 437–444      
2. R. V. Zhalnin, V. F. Masyagin, E. E. Peskova, V. F. Tishkin, “Modeling the flow of multicomponent reactive gas on unstructured grids”, Eng. Technol. Syst., 30:1 (2020), 162–175    
3. V. N. Snytnikov, E. E. Peskova, O. P. Stoyanovskaya, “Model dvukhtemperaturnoi sredy gaz — tverdye nanochastitsy s lazernym pirolizom metana”, Matem. modelirovanie, 35:4 (2023), 24–50      
4. E. E. Peskova, V. N. Snytnikov, “Chislennoe issledovanie konversii metanovykh smesei pod vozdeistviem lazernogo izlucheniya”, Zhurnal SVMO, 25:3 (2023), 159–173    
5. E. E. Peskova, V. N. Snytnikov, R. V. Zhalnin, “Vychislitelnyi algoritm dlya izucheniya vnutrennikh laminarnykh potokov mnogokomponentnogo gaza s raznomasshtabnymi khimicheskimi protsessami”, Kompyuternye issledovaniya i modelirovanie, 15:5 (2023), 1169–1187    
6. V. N. Snytnikov, E. E. Peskova, O. P. Stoyanovskaya, “Mathematical Model of a Two-Temperature Medium of Gas–Solid Nanoparticles with Laser Methane Pyrolysis”, Math Models Comput Simul, 15:5 (2023), 877  

Citing articles in Google Scholar: Russian citations, English citations
Related articles in Google Scholar: Russian articles, English articles