A detailed reaction mechanism model involving 34 species and 115 elementary reactions is developed to reveal the reaction mechanism of H
2
S formation during coal combustion from the level of free radical. Furthermore
numeric
al simulation and experimental methods are applied to verify the credibility of the model and to analy-e the rate-of-production(ROP)of main sulfur species and important free radicals
and the sensitivity of H
2
S formation. A comparison between the experimental and the predicated results shows that the errors of CO
2
CO
H
2
H
2
S
SO
2
and COS are all within 5%
and that the maximum error of CS
2
is 25%. Therefore
the model has a high reliability. Rate-of-production(ROP)analysis indicates that H
2
S is mainly generated via elementary reactions ofH
2
S+H-SH+H
2
CS
2
+H
2
O-H
2
S+COS
andCOS+H
2
O-H
2
S+CO
2
.SO
<
关键词
Keywords
references
LIU Yacheng, FAN Weidong, WU Mingzhou. Experimental and numerical studies on the gas velocity deviation in a 600 MWe tangentially fired boiler [J]. Applied Thermal Engineering, 2017, 110: 553-563.
GAO Ming. Low nitrogen combustion and flue gas denitration research situation [J]. Guangzhou Chemical Industry, 2012(17): 18-19, 22.
FRIGGE L, STRÖHLE J, EPPLE B. Release of sulfur and chlorine gas species during coal combustion and pyrolysis in an entrained flow reactor [J]. Fuel, 2017, 201: 105-110.
MA Honghe, ZHOU Lu, MA Suxia, et al. Progress in mechanism of H2S formation during pulverized coal combustion [J]. Thermal Power Generation, 2019, 48(1): 1-5.
ZHANG Dongke, YANI S. Sulphur transformation during pyrolysis of an Australian lignite [J]. Proceedings of the Combustion Institute, 2011, 33(2): 1747-1753.
KUNG C. High-temperature corrosion mechanisms for selected iron and nickel-based alloys exposed to sulfur and chlorine-containing environments [J]. Corrosion, 2015, 71(4): 483-501.
SHIRAI H, IKEDA M, ARAMAKI H. Characteristics of hydrogen sulfide formation in pulverized coal combustion [J]. Fuel, 2013, 114: 114-119.
MULLER M, SCHNELL U, SCHEFFKNECHT G. Modeling the fate of sulfur during pulverized coal combustion under conventional and oxy-fuel conditions [J]. Energy Procedia, 2013, 37: 1377-1388.
Leeds University. Sulfur mechanism extension to the Leeds methane mechanism [EB/OL]. [2019-09-29]. http:∥www.chem.leeds.ac.uk/combustion /mechanisms/leedssox50.dat.
WEI Xiaolin, HAN Xiaohai, SCHNELL U, et al. Modelling of the NOx and SOx formation in pulverized coal combustion with detailed reaction mechanism [J]. Chinese Journal of Theoretical and Applied Mechanics, 2008, 40(6): 760-768.
GUO Xiaofeng, WEI Xiaolin, LI Sen. Reduction and verification of detailed reaction mechanism containing C/H/O/N/S/Cl/K/Na elements [J]. Journal of Combustion Science and Technology, 2013, 19(1): 21-30.
CERRU F G, KRONENBURG A, LINDSTEDT R P. Systematically reduced chemical mechanisms for sulfur oxidation and pyrolysis [J]. Combustion and Flame, 2006, 146(3): 437-455.
ZHOU C, SENDT K, HAYNES B S. Experimental and kinetic modeling study of H2S oxidation [J]. Proceedings of the Combustion Institute, 2013, 34(1): 625-632.
ABIáN M, CEBRIáN M, áNGELA M, et al. CS2 and COS conversion under different combustion conditions [J]. Combustion and Flame, 2015, 162(5): 2119-2127.
MA Honghe, ZHOU Lu, MA Suxia, et al. Reaction mechanism for sulfur species during pulverized coal combustion [J]. Energy Fuels, 2018, 32(3): 3958966.
SMITH G P, DAVID M. GRI-Mech 3.0 [EB/OL]. [2019-09-29]. http:∥www.me.berkeley.edu/gri_me ch/.
KEE R J, RUPLEY F M, MILLER J A, et al. CHENKIN Release 4.1, Reaction Design [CP]. San Diego, CA, USA: ANSYS, 2006: 195-285.
STRÖHLE J, CHEN X, ZORBACH I, et al. Validation of a detailed reaction mechanism for sulfur species in coal combustion [J]. Combustion Science Technology, 2014, 186(4/5): 540-551.
RASMUSSEN C L, GLARBORG P, MARSHALL P. Mechanisms of radical removal by SO2 [J]. Proceedings of the Combustion Institute, 2007, 31(1): 339-347.
GIMéNEZ-LPEZ J, MARTINEZ M, MILLERA A, et al. SO2 effects on CO oxidation in a CO2 atmosphere, characteristic of oxy-fuel conditions [J]. Combustion and Flame, 2011, 158(1): 48-56.
SELIM H, IBRAHIM S, SHOAIBI A, et al. Investigation of sulfur chemistry with acid gas addition in hydrogen/air flames [J]. Applied Energy, 2014, 113: 1134-1140.