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Simulation of Propane Pyrolysis in a Flow-Through Chemical Reactor under Constant External Heating
Mathematical Models and Computer Simulations Pub Date : 2021-06-12 , DOI: 10.1134/s2070048221030078
I. M. Gubaydullin , R. V. Zhalnin , V. F. Masyagin , E. E. Peskova , V. F. Tishkin

Abstract

This study carries out the numerical simulation of the propane pyrolysis process in a flow-through chemical reactor where chemical conversions are induced by the external heating of the reaction zone. Navier–Stokes equations in the approximation of small Mach numbers are used for the mathematical description of the studied processes, since the velocity of the gas mixture is much lower than the speed of sound in this mixture. The difference scheme is constructed by the integro-interpolation method. The equations of chemical kinetics are solved by a specialized explicit scheme of the second order of accuracy with low computational complexity. As a base for describing the chemical conversions of propane pyrolysis, a well-known kinetic scheme, which includes 30 elementary stages, is employed. However, for a more accurate description of the process, the activation energy of one of the reaction stages is adjusted. The propane pyrolysis process is numerically simulated, taking into account the processes of viscosity, diffusion, and thermal conductivity for various temperatures of the heating elements. Our results on the conversion of propane are compared with the experimental data and well-known numerical results of solving this problem. It is concluded that the developed numerical algorithm confirms the reliability of the results and can be applied in practice to simulate the investigated processes.



中文翻译:

恒定外部加热下流通式化学反应器中丙烷热解的模拟

摘要——

本研究对流通式化学反应器中的丙烷热解过程进行了数值模拟,其中反应区的外部加热会引发化学转化。小马赫数近似中的纳维-斯托克斯方程用于研究过程的数学描述,因为气体混合物的速度远低于该混合物中的声速。差分格式是通过积分插值方法构造的。化学动力学方程由具有低计算复杂性的二阶精度的专门显式方案求解。作为描述丙烷热解化学转化的基础,采用了众所周知的动力学方案,其中包括 30 个基本阶段。但是,为了更准确地描述该过程,调节反应阶段之一的活化能。丙烷热解过程是数值模拟的,考虑了加热元件不同温度下的粘度、扩散和热导率过程。我们将丙烷转化的结果与解决这个问题的实验数据和众所周知的数值结果进行了比较。得出的结论是,所开发的数值算法证实了结果的可靠性,可以在实践中应用于模拟研究过程。我们将丙烷转化的结果与解决这个问题的实验数据和众所周知的数值结果进行了比较。得出的结论是,所开发的数值算法证实了结果的可靠性,可以在实践中应用于模拟研究过程。我们将丙烷转化的结果与解决这个问题的实验数据和众所周知的数值结果进行了比较。得出的结论是,所开发的数值算法证实了结果的可靠性,可以在实践中应用于模拟研究过程。

更新日期:2021-06-13
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