Advanced Mathematics, Computations and Applications 2015

October 19-23, 2015, Akademgorodok, Novosibirsk, Russia

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Stadnichenko O.A.   Снытников В.Н.   Снытников В.Н.   Масюк Н.С.  

Mathematical modeling of alkane pyrolysis in a wall-less reactor with allowance for laser radiation effects

Reporter: Stadnichenko O.A.

A mathematical model is proposed to describe the three-dimensional gas flow dynamics in a reactor for pyrolysis of alkanes to olefins (Snytnikov et al., 2009, 2012, 2014) with allowance for thermal effects of the absorbed laser radiation. The model is intended to explore the possibility of controlling the conversion of reagents using continuous CO2 laser radiation. The absorption of radiation by ethylene is accompanied by the transformation of radiation energy into thermal energy. The pyrolysis under laser radiation with a power density up to 2*103 W/cm2 was modeled. The numerical model was developed using the ANSYS Fluent package (Fluent, 2012) with user modules supplemented with a stiff set of ordinary differential equations describing a kinetic scheme of radical chain reactions, and with user modules for refining physicochemical processes. Verification of the mathematical model of gas dynamics with chemical reactions in the reactor without regard to radiation was reported in (Stadnichenko et al., 2014, Nurislamova et al., 2014). The model was devised to explore the possibility of using laser radiation energy with high intensity and limited power for initiation of chemical reactions of alkane pyrolysis at low near-wall temperatures, and upscaling the process to greater weights and sizes of the reactor with the maintained laminar flow regime.
The project has been in part by the Russian Foundation for Basic Research (Project No. 12-08-31095) and under the UNIHEAT project with the Skolkovo Foundation and BP financial support. The work was supported by base budget project V.44.2.11 and the RF Ministry of Education and Science.

REFERENCES
1. ANSYS Fluent, 2012. User Manual, Release 14.5. ANSYS Inc.
2. Nurislamova, L., Stoyanovskaya, O., Stadnichenko, O., Gubaydullin, I., Snytnikov, V.  A Reduced Kinetic Scheme of Gaseous Autocatalytic Ethane Pyrolysis and its Evaluation by Means of Uncertainty and Sensitivity Analysis. Chemical Product and Process Modeling. DOI: 10.1515/cppm-2014-0008. 2014.
3. Snytnikov, V. N., Mischenko, T. I., Snytnikov, Vl. N., Chernykh, I. G.  A reactor for the study of homogeneous processes using laser radiation energy. Chemical Engeneering Journal. 150, 1. pp.231-236. 2009.
4. Snytnikov, V.N., Mishchenko, T.I., Snytnikov, Vl.N., Malykhin, S.E., Avdeev, V.I., Parmon, V.N. Autocatalytic gas-phase dehydrogenation of ethane. Res. Chem. Intermed. DOI 10.1007/s11164-011-0449-x. 2012.
5. Snytnikov, V.N., Mishchenko, T.I., Snytnikov, V.N., Chernykh, I.G. Autocatalytic dehydrogenation of propane. Research on Chemical Intermediates. 40 (1), pp. 345-356. 2014.
6. Stadnichenko, O., Snytnikov, V., Snytnikov, Vl, Mathematical modelling of multicomponent gas flows with energy intensive chemical processes on the example of ethane pyrolysis. Vychislitelnye metody I programmirovenie (Numerical methods and programming).V.15, №4, pp.658-668, 2014.