The bifurcation behavior of the CO coupling reactor was examined based on the one-dimensional pseudo homogeneous axial dispersion dynamic model. The method of finite difference was used for solving the boundary value ...The bifurcation behavior of the CO coupling reactor was examined based on the one-dimensional pseudo homogeneous axial dispersion dynamic model. The method of finite difference was used for solving the boundary value problem; the continuation technique and the direct method were applied to determine the bifurcation diagram. The effects of dimensionless adiabatic temperature rise, Damkohler number, activation energy, heat transfer coefficient and feed ratio on the bifurcation behavior were investigated. It was shown that there existed static bifurcation and the oscillations did not occur in the reactor. The result also revealed that the reactor exhibited at most 1-3-1 multiplicity patterns within the range of practical possible parameters and the measures, such as weakening the axial dispersion of reactor, enhancing heat transfer, decreasing the concentration of ethyl nitrite, were efficient for avoiding the possible risk of multiple steady states.展开更多
This article describes a process for the synthesis of diethyl oxalate by a coupling reaction of carbon monoxide, catalyzed by palladium in the presence of ethyl nitrite. The kinetics and mechanism of the coupling and ...This article describes a process for the synthesis of diethyl oxalate by a coupling reaction of carbon monoxide, catalyzed by palladium in the presence of ethyl nitrite. The kinetics and mechanism of the coupling and regeneration reaction are also discussed. This paper presents the results of a scale-up test of the catalyst and the process based on an a priori computer simulation.展开更多
The syntheses of dimethyl oxalate （DMO） and diethyl oxalate （DEO） by CO coupling reaction in gaseous phase were investigated in a fixed bed reactor over Pd-Fe/ A1203 catalyst. The catalytic performance was charact...The syntheses of dimethyl oxalate （DMO） and diethyl oxalate （DEO） by CO coupling reaction in gaseous phase were investigated in a fixed bed reactor over Pd-Fe/ A1203 catalyst. The catalytic performance was characterized by CO conversion, space-time yield （STY） and selectivity of DMO （or DEO）. The results showed that over Pd-Fe/A1203 catalyst, the STY of DMO was higher than that of DEO under the same reaction conditions. The optimum reaction temperatures for synthesizing DMO and DEO were 403 K and 393 K, respectively, at the molar ratio 1：1 of alkyl nitrite to CO. The difference in synthesizing DMO and DEO on the same catalyst was attributed to the decomposition performances of methyl nitrite （MN） and ethyl nitrite （EN）, as density functional theory （DFT） calculation showed that EN decomposed more easily than MN.展开更多
文摘The bifurcation behavior of the CO coupling reactor was examined based on the one-dimensional pseudo homogeneous axial dispersion dynamic model. The method of finite difference was used for solving the boundary value problem; the continuation technique and the direct method were applied to determine the bifurcation diagram. The effects of dimensionless adiabatic temperature rise, Damkohler number, activation energy, heat transfer coefficient and feed ratio on the bifurcation behavior were investigated. It was shown that there existed static bifurcation and the oscillations did not occur in the reactor. The result also revealed that the reactor exhibited at most 1-3-1 multiplicity patterns within the range of practical possible parameters and the measures, such as weakening the axial dispersion of reactor, enhancing heat transfer, decreasing the concentration of ethyl nitrite, were efficient for avoiding the possible risk of multiple steady states.
文摘This article describes a process for the synthesis of diethyl oxalate by a coupling reaction of carbon monoxide, catalyzed by palladium in the presence of ethyl nitrite. The kinetics and mechanism of the coupling and regeneration reaction are also discussed. This paper presents the results of a scale-up test of the catalyst and the process based on an a priori computer simulation.
文摘The syntheses of dimethyl oxalate （DMO） and diethyl oxalate （DEO） by CO coupling reaction in gaseous phase were investigated in a fixed bed reactor over Pd-Fe/ A1203 catalyst. The catalytic performance was characterized by CO conversion, space-time yield （STY） and selectivity of DMO （or DEO）. The results showed that over Pd-Fe/A1203 catalyst, the STY of DMO was higher than that of DEO under the same reaction conditions. The optimum reaction temperatures for synthesizing DMO and DEO were 403 K and 393 K, respectively, at the molar ratio 1：1 of alkyl nitrite to CO. The difference in synthesizing DMO and DEO on the same catalyst was attributed to the decomposition performances of methyl nitrite （MN） and ethyl nitrite （EN）, as density functional theory （DFT） calculation showed that EN decomposed more easily than MN.
