TY - JOUR
T1 - CFD simulations of Industrial Steam Cracking Reactors
T2 - Turbulence-Chemistry Interaction and Dynamic Zoning
AU - Reyniers, Pieter A.
AU - Schietekat, Carl M.
AU - Kong, Bo
AU - Passalacqua, Alberto
AU - Van Geem, Kevin M.
AU - Marin, Guy B.
N1 - Publisher Copyright:
© 2017 American Chemical Society.
PY - 2017/12/27
Y1 - 2017/12/27
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85037856274&partnerID=8YFLogxK
U2 - 10.1021/acs.iecr.7b02492
DO - 10.1021/acs.iecr.7b02492
M3 - 文章
AN - SCOPUS:85037856274
VL - 56
SP - 14959
EP - 14971
JO - Industrial and Engineering Chemistry Research
JF - Industrial and Engineering Chemistry Research
SN - 0888-5885
IS - 51
ER -