Flow characteristics, such as flow pattern, gas holdup, and bubble size distribution, in an internal loop reactor with external liquid circulation, are simulated to investigate the influence of reactor internals by us...Flow characteristics, such as flow pattern, gas holdup, and bubble size distribution, in an internal loop reactor with external liquid circulation, are simulated to investigate the influence of reactor internals by using the computational fluid dynamics （CFD）-population balance equations （PBE） coupled model. Numerical results reveal that introducing a downcomer tube and a draft tube can help to improve the mass and heat transfer of the reactor through enhanced liquid circulation, increased gas holdup and reduced bubble diameter. The hydrodynamic behavior in the internal loop reactor with external liquid circulation can be managed effectively by adjusting the diameter and axial position of the draft tube.展开更多
The computational fluid dynamics （CFD）-population balance equations （PBE） coupled model is employed to investigate the hydrodynamics in a gas-slurry internal loop reactor with external slurry circulation. The pred...The computational fluid dynamics （CFD）-population balance equations （PBE） coupled model is employed to investigate the hydrodynamics in a gas-slurry internal loop reactor with external slurry circulation. The predicted radial profiles of local gas holdup and bubble diameter are in good agreement with the corresponding experimental data. The spatio-temporal velocity profile of the gas phase reveals that the upward movement of gas is slowed down and the residence time of gas is prolonged by the downward momentum of the slurry, introduction of the external slurry can greatly improve the uniformity of gas holdup distribution in the reactor, especially in the downcomer-tube action region. Moreover, the interaction between the downward slurry and upward gas can lead to small bubble size and high interfacial area as well as good mass and heat transfer. The above results suggest the function of external slurry circulation for the internal loop reactor and would be helpful for optimizing the design and scale up of reactors.展开更多
Thioaldehydes and thioketones are candidates of new photoluminescence materials. The time-dependent density functional theory is applied to calculate the absorption and emission wavelengths of ten thiocarbonyl compoun...Thioaldehydes and thioketones are candidates of new photoluminescence materials. The time-dependent density functional theory is applied to calculate the absorption and emission wavelengths of ten thiocarbonyl compounds using both B3LYP and PBEO functionals. The theoretical results are in agreement with the measurable ones. Furthermore, it is found that the maximum absorption and emission wavelengths are linearly correlated to the C-S bond lengths.展开更多
基金Financial support from the Central Universities (12QN02)National Natural Science Foundation of China (51025624and 51076043)111 Project (B12034)
文摘Flow characteristics, such as flow pattern, gas holdup, and bubble size distribution, in an internal loop reactor with external liquid circulation, are simulated to investigate the influence of reactor internals by using the computational fluid dynamics （CFD）-population balance equations （PBE） coupled model. Numerical results reveal that introducing a downcomer tube and a draft tube can help to improve the mass and heat transfer of the reactor through enhanced liquid circulation, increased gas holdup and reduced bubble diameter. The hydrodynamic behavior in the internal loop reactor with external liquid circulation can be managed effectively by adjusting the diameter and axial position of the draft tube.
基金Financial support from the National Natural Science Foundation of China(51076043 and 51061130538)Program for New Century Excellent Talents in University(NCET-09-0342)+1 种基金Central Universities(12QN02)111 Project(B12034)
文摘The computational fluid dynamics （CFD）-population balance equations （PBE） coupled model is employed to investigate the hydrodynamics in a gas-slurry internal loop reactor with external slurry circulation. The predicted radial profiles of local gas holdup and bubble diameter are in good agreement with the corresponding experimental data. The spatio-temporal velocity profile of the gas phase reveals that the upward movement of gas is slowed down and the residence time of gas is prolonged by the downward momentum of the slurry, introduction of the external slurry can greatly improve the uniformity of gas holdup distribution in the reactor, especially in the downcomer-tube action region. Moreover, the interaction between the downward slurry and upward gas can lead to small bubble size and high interfacial area as well as good mass and heat transfer. The above results suggest the function of external slurry circulation for the internal loop reactor and would be helpful for optimizing the design and scale up of reactors.
基金Supported by the National Natural Science Foundation of China under Grant No 10375030.
文摘Thioaldehydes and thioketones are candidates of new photoluminescence materials. The time-dependent density functional theory is applied to calculate the absorption and emission wavelengths of ten thiocarbonyl compounds using both B3LYP and PBEO functionals. The theoretical results are in agreement with the measurable ones. Furthermore, it is found that the maximum absorption and emission wavelengths are linearly correlated to the C-S bond lengths.
