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Unified light-thermal-diffusion coupling multi-mechanism kinetic model for gas-solid photocatalytic CO2 reduction with experimental and simulation validation 认领 引用
1
作者 Shicheng Liu Du Wen +5 位作者 Jing Xiang Ng Junbo Yu Xiangyu Chen Lehang Chen Qulan Zhou Na Li 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2026年第6期854-867,I0020,共14页
Photocatalytic CO2 reduction in gas–solid systems is a complex process that requires the integrated consideration of illumination,photocatalytic performance,and gas diffusion on the catalyst surface.Oversimplifica... Photocatalytic CO2 reduction in gas–solid systems is a complex process that requires the integrated consideration of illumination,photocatalytic performance,and gas diffusion on the catalyst surface.Oversimplification of these factors in existing computational fluid dynamics models severely compromises their predictive capability under realistic reaction conditions.To address this limitation,this study develops a multi-mechanism kinetic model that integrates photoexcitation,Arrhenius thermal activation,Langmuir adsorption saturation,and Thiele diffusion resistance within a unified kinetic expression.Model parameters were constrained and validated using a combination of first-principles calculations and multiscale optical,spectroscopic,adsorption,and transport measurements in a tree-shaped uniform-flow reactor.Photocatalytic experiments of four distinct catalysts are then used to validate the multi-mechanism kinetic model,with R2 above 0.98.Under model-derived conditions,the operation of the tree-shaped reactor achieve an optimal conversion rate of 116.7μmol g-1h-1.The model reliably predicts the experimental rates across a wide range of operating conditions.It also accurately captures the optimal space velocity range and the promotional effect of increasing temperature.This work offers a generalizable framework for the theoretical understanding,modelling,and scale-up of photocatalytic CO2 conversion systems. 展开更多
关键词 Photocatalytic CO2conversion Multi-mechanism kinetic model Density functional theory Experiment validation
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Experimental study on the laminar flame speed of hydrogen/natural gas/air mixtures 认领 引用 被引量：9
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作者 Chen DONG Qulan ZHOU +3 位作者 Xiaoguang ZHANG Qinxin ZHAO Tongmo XU Shi’en HUI 《Frontiers of Chemical Science and Engineering》 2010年第4期417-422,共6页
Laminar flame speeds of hydrogenatural gas/air mixtures have been measured over a full range of fuel compositions(0-100%volumetric fraction of H2)and a wide range of equivalence ratio using Bunsen burner.High sensi... Laminar flame speeds of hydrogenatural gas/air mixtures have been measured over a full range of fuel compositions(0-100%volumetric fraction of H2)and a wide range of equivalence ratio using Bunsen burner.High sensitivity scientific CCD camera is use to capture the image of laminar flame.The reaction zone area is employed to calculate the laminar flame speed.The initial temperature and pressure of fuel air mixtures are 293 K and 1 atm.The laminar flame speeds of hydrogen/air mixture and natural gas/air mixture reach their maximum values 2.933 and 0.374 m/s when equivalence ratios equal to 1.7 and 1.1,respectively.The laminar flame speeds of hydrogenatural gas/air mixtures rise with the increase of volumetric fraction of hydrogen.Moreover,the increase in laminar flame speed as the volumetric fraction of hydrogen increases presents an exponential increasing trend versus volumetric fraction of hydrogen.Empirical formulas to calculate the laminar flame speeds of hydrogen,natural gas,and hydrogenatural gas mixtures are also given.Using these formulas,the laminar flame speed at different hydrogen fractions and equivalence ratios can be calculated. 展开更多
关键词 laminar flame speed experimental study Bunsen flame
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Experimental investigations on combustion characteristics of syngas composed of CH4,CO,and H2 认领 引用
3
作者 Qingwei FAN Shien HUI +2 位作者 Qulan ZHOU Qinxin ZHAO Tongmo XU 《Frontiers of Chemical Science and Engineering》 2010年第4期404-410,共7页
The residual gas and remained raw gas in dual gas resources polygeneration system are quite complex in components(mainly CH4,CO,and H2),and these results to the distinguished differences in combustion reaction.E... The residual gas and remained raw gas in dual gas resources polygeneration system are quite complex in components(mainly CH4,CO,and H2),and these results to the distinguished differences in combustion reaction.Experimental investigations on basic combustion characteristics of syngas referred above are conducted on a laboratory-scale combustor with flame temperature and flue gas composition measured and analyzed.Primary air coefficient(PA),total air coefficient(TA),and components of the syngas(CS)are selected as key factors,and it is found that PA dominates mostly the ignition of syngas and NOx formation,while TA affects the flue gas temperature after high temperature region and NOx formation trend to be positive as H2/CO components increase.The results provide references for industrial utilization. 展开更多
关键词 dual gas resources polygeneration lean premixed combustion residual gas remained raw gas NOx emission
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Numerical study on laminar flame speed of natural gas-carbon monoxide-air mixtures 认领 引用
4
作者 Chen DONG Qulan ZHOU +2 位作者 Qinxin ZHAO Tongmo XU Shi’en HUI 《Frontiers of Chemical Science and Engineering》 2010年第4期411-416,共6页
Laminar flame speeds of natural gas-carbon monoxide-air mixtures are calculated by CHEMKIN II with GRI Mech-3.0 over a large range of fuel compositions,equivalence ratios,and initial temperatures.The calculated result... Laminar flame speeds of natural gas-carbon monoxide-air mixtures are calculated by CHEMKIN II with GRI Mech-3.0 over a large range of fuel compositions,equivalence ratios,and initial temperatures.The calculated results of natural gas are compared with previous experimental results that show a good agreement.The calculated laminar flame speeds of natural gas-carbon monoxide-air mixtures show a nonmonotonic increasing trend with volumetric fraction of carbon monoxide and an increasing trend with the increase of initial temperature of mixtures.The maximum laminar flame speed of certain fuel blend reaches its biggest value when there is 92%volumetric fraction of carbon monoxide in fuel at different initial temperatures.Five stoichiometric natural gas-carbon monoxide-air mixtures are selected to study the detailed chemical structure of natural gas-carbon monoxide-air mixtures.The results show that at stoichiometric condition,the fuel blend with 80%volumetric fraction of carbon monoxide has the biggest laminar flame speed,and the C normalized total production rate of methane with 80%volumetric fraction of carbon monoxide is the largest of the five stoichiometric mixtures. 展开更多
关键词 laminar flame speed numerical study nonmonotonic increasing trend
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