Abstract
Modeling finite-rate chemistry in turbulent reacting flows is challenging because of the large span in length and time scales. Reynolds-averaged Navier-Stokes equations-based simulations do not resolve turbulent fluctuations and hence neglect their effect on the reaction rates. Turbulence-chemistry interaction was accounted for in RANS simulations via quadrature-based integration of the reaction rates, calculated using a temperature probability density function with a presumed Gaussian shape and transported mean and variance. The effect on light olefin yield was 0.1-0.2 wt % absolute. A dynamic zoning method was implemented to reduce the computational cost by performing chemical rate calculations only once for thermodynamically similar cells. Speedups of 50-190 were observed while the relative error on conversion remained below 0.05%. The advantages of the presented methodology were illustrated for a large-scale butane-cracking U-coil reactor.
Original language | English |
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Pages (from-to) | 14959-14971 |
Number of pages | 13 |
Journal | Industrial & Engineering Chemistry Research |
Volume | 56 |
Issue number | 51 |
DOIs | |
State | Published - 27 Dec 2017 |
Externally published | Yes |