This paper investigates steady-state and dynamic simulation of an industrial fixed-bed ethylene oxide reactor. A mathematical heterogeneous one-dimensional model is developed for simulation of reactor performance in t...This paper investigates steady-state and dynamic simulation of an industrial fixed-bed ethylene oxide reactor. A mathematical heterogeneous one-dimensional model is developed for simulation of reactor performance in the presence of long term deactivation of silver/a-alumina catalyst. In this paper, steady-state model of the reactor is solved and results of steady state simulation are fed to dynamic simulator as initial condition. When results of dynamic simulation are compared with industrial reactor data, it is found that there were good agreements between simulation results and industrial data. The proposed model is also validated by industrial process data for a period of 1100 operating days.展开更多
The model of nuclear reactor dynamics is an initial-boundary value problems of a cou- pled nonlinear integrodifferential equation system of one ordinary differential equation and one par-- tial differential equation. ...The model of nuclear reactor dynamics is an initial-boundary value problems of a cou- pled nonlinear integrodifferential equation system of one ordinary differential equation and one par-- tial differential equation. In this this,paper,a linearized difference scheme is derived by the method of reduction of order.It is proved that the scheme is uniquely solvable and unconditionally convergent with the convergence rate of order two both in discrete H1norm and in discrete maxinum narm,and one needs only to solve a tridiagonal system of linear algebraic equations at each time lev- el.The method of reduction of order is an indirect constructing-difference-scheme method,which aim is for the analysis of solvablity and convergence of the constructed difference scheme.展开更多
In this paper, the effect of water vapor removal on methanol synthesis capacity from syngas in a fixed-bed membrane reactor is studied considering long-term catalyst deactivation. A dynamic heterogeneous one-dimension...In this paper, the effect of water vapor removal on methanol synthesis capacity from syngas in a fixed-bed membrane reactor is studied considering long-term catalyst deactivation. A dynamic heterogeneous one-dimensional mathematical model that is composed of two sides is developed to predict the performance of this configuration. In this configuration, conventional methanol reactor is supported by an aluminasilica composite membrane layer for water vapor removal from reaction zone. To verify the accuracy of the considered model and assumptions, simulation results of the conventional methanol reactor is compared with the industrial plant data under the same process condition. The membrane reactor improves catalyst life time and enhances CO2 conversion to methanol by overcoming the limitation imposed by thermodynamic equilibrium. This configuration has enhanced the methanol production capacity about 4.06% compared with the industrial methanol reactor during the production time.展开更多
Hydrodynamics of airlift loop reactors was studied in detail experimentally andtheoretically.An internal airlift loop reactor was designed and set up for this study.An instru-mentation system based on the electrochemi...Hydrodynamics of airlift loop reactors was studied in detail experimentally andtheoretically.An internal airlift loop reactor was designed and set up for this study.An instru-mentation system based on the electrochemical method was adapted to measure local gas holdup andliquid velocity.A two-dimensional two-fluid model based on the first principles was established andimplemented to model the flow in airlift loop reactors.A corrected turbulent model was incorporatedin the simulation.The shear rate,shear stress and energy dissipation are evaluated from the flowfield.The numerically predicted results and experimental data obtained from this work as well as thesereported in literature are analyzed and compared.展开更多
Axial gas-liquid separators have been adopted in fission gas removal systems for the development of thorium molten salt reactors. In our previous study, we observed an unsteady flow phenomenon in which the flow patter...Axial gas-liquid separators have been adopted in fission gas removal systems for the development of thorium molten salt reactors. In our previous study, we observed an unsteady flow phenomenon in which the flow pattern is directly dependent on the backpressure in a gas-liquid separator; however, the underlying flow mechanism is still unknown. In order to move a step further in clarifying how the flow pattern evolves with a variation in backpressure, a large eddy simulation(LES) was adopted to study the flow field evolution. In the simulation, an artificial boundary was applied at the separator outlet under the assumption that the backpressure increases linearly. The numerical results indicate that the unsteady flow feature is captured by the LES approach, and the flow transition is mainly due to the axial velocity profile redistribution induced by the backpressure variation. With the increase in backpressure,the axial velocity near the downstream orifice transits from negative to positive. This change in the axial velocity sign forces the unstable spiral vortex to become a stable rectilinear vortex.展开更多
Understanding of hydrodynamics in liquid jet loop reactors is a prerequisite step for the fur-ther study of multi-phase flow in loop reactors.A hydrodynamic simulation for liquid jet loop reac-tors is developed from t...Understanding of hydrodynamics in liquid jet loop reactors is a prerequisite step for the fur-ther study of multi-phase flow in loop reactors.A hydrodynamic simulation for liquid jet loop reac-tors is developed from the first principles of transport phenomena in this paper.The turbulence istaken into account by using the standard k-ε model.This approach is used to study the influence ofconfiguration and viscosity on the hydrodynamics.The results are in very reasonable coincidence to ex-perimental data in literature.展开更多
Different mathematical models for ethylene furnace reactor tubes were reviewed. On the basis of these models a new mathematical simulation approach for reactor tubes based on computational fluid dynamics （CFD） techn...Different mathematical models for ethylene furnace reactor tubes were reviewed. On the basis of these models a new mathematical simulation approach for reactor tubes based on computational fluid dynamics （CFD） technique was presented. This approach took the flow, heat transfer, mass transfer and thermal cracking reactions in the reactor tubes into consideration. The coupled reactor model was solved with the SIMPLE algorithm. Some detailed information about the flow field, temperature field and concentration distribution in the reactor tubes was obtained, revealing the basic characteristics of the hydrodynamic phenomena and reaction behavior in the reactor tubes. The CFD approach provides the necessary information for conclusive decisions regarding the production optimization, the design and improvement of reactor tubes, and the new techniques implementation.展开更多
A three-dimensional geometric model was set up for the oxidative coupling of methane(OCM) fixed bed reactor loaded with Na_3PO_4-Mn/SiO_2/cordierite monolithic catalyst,and an improved Stansch kinetic model was establ...A three-dimensional geometric model was set up for the oxidative coupling of methane(OCM) fixed bed reactor loaded with Na_3PO_4-Mn/SiO_2/cordierite monolithic catalyst,and an improved Stansch kinetic model was established to calculate the OCM reactions using the computational fluid dynamics method and Fluent software.The simulation conditions were completely the same with the experimental conditions that the volume velocity of the reactant is 80 ml·min^(-1) under standard state,the CH_4/O_2 ratio is 3 and the temperature and pressure is800 ℃ and 1 atm,respectively.The contour of the characteristic parameters in the catalyst bed was analyzed,such as the species mass fractions,temperature,the heat flux on side wall surface,pressure,fluid density and velocity.The results showed that the calculated values matched well with the experimental values on the conversion of CH4 and the selectivity of products(C_2H_6,C_2H_4,CO,CO_2 and H_2) in the reactor outlet with an error range of±4%.The mass fractions of CH_4 and O_2 decreased from 0.600 and 0.400 at the catalyst bed inlet to 0.445 and0.120 at the outlet,where the mass fractions of C_2H_6,C_2H_4,CO and CO_2 were 0.0245,0.0460,0.0537 and 0.116,respectively.Due to the existence of laminar boundary layer,the mass fraction contours of each species bent upwards in the vicinity of the boundary layer.The volume of OCM reaction was changing with the proceeding of reaction,and the total moles of products were greater than reactants.The flow field in the catalyst bed maintained constant temperature and pressure.The fluid density decreased gradually from 2.28 kg·m^(-3) at the inlet of the catalyst bed to 2.18 kg·m^(-3) at the outlet of the catalyst bed,while the average velocity magnitude increased from 0.108 m·s-1 to 0.120 m·s^(-1).展开更多
Carbon dioxide(CO2),the main gas emitted from fossil burning,is the primary contributor to global warming.Circulating fluidized bed reactor(CFBR)is proved as an energy-efficient method for post-combustion CO2 capture....Carbon dioxide(CO2),the main gas emitted from fossil burning,is the primary contributor to global warming.Circulating fluidized bed reactor(CFBR)is proved as an energy-efficient method for post-combustion CO2 capture.The numerical simulation by computational fluid dynamics(CFD)is believed as a promising tool to study CO2 adsorption process in CFBR.Although three-dimensional(3D)simulations were proved to have better predicting performance with the experimental results,two-dimensional(2D)simulations have been widely reported for qualitative and quantitative studies on gas-solid behavior in CFBR for its higher computational efficiency recently.However,the discrepancies between 2D and 3D simulations have rarely been evaluated by detailed study.Considering that the differences between the 2D and 3D simulations will vary substantially with the changes of independent operating conditions,it is beneficial to lower computational costs to clarify the effects of dimensionality on the numerical CO2 adsorption runs under various operating conditions.In this work,the comparative analysis for CO2 adsorption in 2D and 3D simulations was conducted to enlighten the effects of dimensionality on the hydrodynamics and reaction behaviors,in which the separation rate,species distribution and hydrodynamic characteristics were comparatively studied for both model frames.With both accuracy and computational costs considered,the viable suggestions were provided in selecting appropriate model frame for the studies on optimization of operating conditions,which directly affect the capture and energy efficiencies of cyclic CO2 capture process in CFBR.展开更多
A three-dimensional geometric model of the oxidative coupling of methane （OCM） packed-bed reactor loaded with Na2WO4-Mn/SiO2 partic- ulate catalyst was set up, and an improved Stansch kinetic model was established t...A three-dimensional geometric model of the oxidative coupling of methane （OCM） packed-bed reactor loaded with Na2WO4-Mn/SiO2 partic- ulate catalyst was set up, and an improved Stansch kinetic model was established to calculate the OCM reactions using the computational fluid dynamics method and Fluent software. The simulation conditions were completely the same with the experimental conditions that the volume velocity of the reactant was 80 mL/min under standard state, the ratio of CH4/O2 was 3, the temperature and pressure were 800 ℃ and 1 atm, respectively. The contour of the characteristics parameters in the catalyst bed was analyzed, such as the species mass fractions, temperature, the heat flux on side wall surface, pressure, fluid density and velocity. The results showed that the calculated values matched well with the experimental values on the conversion of CH4 and the selectivity to products （C2H6, C2H4, CO2, CO） in the reactor outlet with an error range of 4-2%. The mass fractions of CH4 and O2 decreased from 0.6 and 0.4 in the catalyst bed inlet to 0.436 and 0.142 in the outlet, where the mass fractions of C2H6, C2H4, CO and CO2 were 0.035, 0.061, 0.032 and 0.106, respectively. Due to the existence of laminar boundary layer, the contours of each component bent upwards in the vicinity of the boundary layer. This OCM reaction was volume increase reaction and the total moles of products were greater than those of reactants. The flow field in the catalyst bed maintained constant temperature and pressure. The fluid density decreased gradually from 2.28 kg/m3 in the inlet of the catalyst bed to 2.22 kg/m3 in the outlet of the catalyst bed, while the velocity increased from 0.108 m/s to 0.115 m/s.展开更多
In the reaction process of carbonate desulfurization lead paste,the produced PbCO_(3) is easily wrapped in the outer periphery of PbSO_(4) to form a product layer,hindering the mass transfer process.Therefore,it is ne...In the reaction process of carbonate desulfurization lead paste,the produced PbCO_(3) is easily wrapped in the outer periphery of PbSO_(4) to form a product layer,hindering the mass transfer process.Therefore,it is necessary to break the PbCO_(3) product layer.In this work,the rotor stator-reinforced reactor was selected as the enhanced desulfurization reactor for the purpose of breaking the PbCO_(3) product layer and promoting mass transfer.The breakage process of the PbCO_(3) product layer generated during the PbSO_(4) desulfurization was modeled.Computational fluid dynamics simulation to the rotation conditions was carried out to theoretically analyze the fluid flow characteristics of PbSO_(4) slurry and the wall shear stress affecting the breakage of PbCO_(3) product layer.By optimizing the rotation conditions,the distribution ratio of effective rotor wall shear stress range achieved 96.1%,and the stator wall shear stress range reached 99.15%under a rotation of 2000 r·min^(-1).The research work provides a reference for analysis of the mechanism of product layer breakage in the PbSO_(4) desulfurization process,and gives a clear and intuitive systematic study on the fluid flow characteristics and wall shear stress of the desulfurization reactor.展开更多
This work investigated the applicability of heterogeneous and pseudo-homogeneous models to predict the dynamic behavior of a fixed-bed catalytic reactor. Some issues concerning the dynamic behavior of the system were ...This work investigated the applicability of heterogeneous and pseudo-homogeneous models to predict the dynamic behavior of a fixed-bed catalytic reactor. Some issues concerning the dynamic behavior of the system were discussed, such as the prediction of the inverse response phenomenon. The proposed models (Het- erogeneous I and II and Pseudo-homogeneous) were able to predict with qualitative similarity the main characteristics of the dynamic behavior of a fixed-bed catalytic reactor, including the inverse response. The computational time demanded for the solution of the heterogeneous models was 10 to 50% longer than in the case of the pseudo-homogeneous model, making the use of the former suitable for applications where computational time is not the major restriction (off-line applications). On the other hand, when on-line applications are required, the simplified model (Pseudo-homogeneous model) showed to be a good alternative because this model was able to predict (qualitatively) the dynamics of the reactor using a faster and easier numerical solution.展开更多
This paper focuses on the dynamic control of distillation column with side reactors(SRC) for methyl acetate production. To obtain the optimum integrated structure and steady state simulation, the systematic design app...This paper focuses on the dynamic control of distillation column with side reactors(SRC) for methyl acetate production. To obtain the optimum integrated structure and steady state simulation, the systematic design approach based on the concept of independent reaction amount is applied to the process of SRC for methyl acetate production. In addition to the basic control loops, multi-variable model predictive control modular with methyl acetate concentration and temperature of sensitive plate is designed. Then, based on process simulation software Aspen Plus, dynamic simulation of SRC for methyl acetate production is used to verify the effectiveness of the control scheme.展开更多
文摘This paper investigates steady-state and dynamic simulation of an industrial fixed-bed ethylene oxide reactor. A mathematical heterogeneous one-dimensional model is developed for simulation of reactor performance in the presence of long term deactivation of silver/a-alumina catalyst. In this paper, steady-state model of the reactor is solved and results of steady state simulation are fed to dynamic simulator as initial condition. When results of dynamic simulation are compared with industrial reactor data, it is found that there were good agreements between simulation results and industrial data. The proposed model is also validated by industrial process data for a period of 1100 operating days.
基金NSF of Jiangsu Province (BK97004) and NSF of China (19801007)
文摘The model of nuclear reactor dynamics is an initial-boundary value problems of a cou- pled nonlinear integrodifferential equation system of one ordinary differential equation and one par-- tial differential equation. In this this,paper,a linearized difference scheme is derived by the method of reduction of order.It is proved that the scheme is uniquely solvable and unconditionally convergent with the convergence rate of order two both in discrete H1norm and in discrete maxinum narm,and one needs only to solve a tridiagonal system of linear algebraic equations at each time lev- el.The method of reduction of order is an indirect constructing-difference-scheme method,which aim is for the analysis of solvablity and convergence of the constructed difference scheme.
文摘In this paper, the effect of water vapor removal on methanol synthesis capacity from syngas in a fixed-bed membrane reactor is studied considering long-term catalyst deactivation. A dynamic heterogeneous one-dimensional mathematical model that is composed of two sides is developed to predict the performance of this configuration. In this configuration, conventional methanol reactor is supported by an aluminasilica composite membrane layer for water vapor removal from reaction zone. To verify the accuracy of the considered model and assumptions, simulation results of the conventional methanol reactor is compared with the industrial plant data under the same process condition. The membrane reactor improves catalyst life time and enhances CO2 conversion to methanol by overcoming the limitation imposed by thermodynamic equilibrium. This configuration has enhanced the methanol production capacity about 4.06% compared with the industrial methanol reactor during the production time.
基金Supported by the National Natural Science Foundation of China.
文摘Hydrodynamics of airlift loop reactors was studied in detail experimentally andtheoretically.An internal airlift loop reactor was designed and set up for this study.An instru-mentation system based on the electrochemical method was adapted to measure local gas holdup andliquid velocity.A two-dimensional two-fluid model based on the first principles was established andimplemented to model the flow in airlift loop reactors.A corrected turbulent model was incorporatedin the simulation.The shear rate,shear stress and energy dissipation are evaluated from the flowfield.The numerically predicted results and experimental data obtained from this work as well as thesereported in literature are analyzed and compared.
基金supported by the National Natural Science Foundation of China(Nos.11535009 and 51406114)
文摘Axial gas-liquid separators have been adopted in fission gas removal systems for the development of thorium molten salt reactors. In our previous study, we observed an unsteady flow phenomenon in which the flow pattern is directly dependent on the backpressure in a gas-liquid separator; however, the underlying flow mechanism is still unknown. In order to move a step further in clarifying how the flow pattern evolves with a variation in backpressure, a large eddy simulation(LES) was adopted to study the flow field evolution. In the simulation, an artificial boundary was applied at the separator outlet under the assumption that the backpressure increases linearly. The numerical results indicate that the unsteady flow feature is captured by the LES approach, and the flow transition is mainly due to the axial velocity profile redistribution induced by the backpressure variation. With the increase in backpressure,the axial velocity near the downstream orifice transits from negative to positive. This change in the axial velocity sign forces the unstable spiral vortex to become a stable rectilinear vortex.
基金Supported by the National Natural Science Foundation of China.
文摘Understanding of hydrodynamics in liquid jet loop reactors is a prerequisite step for the fur-ther study of multi-phase flow in loop reactors.A hydrodynamic simulation for liquid jet loop reac-tors is developed from the first principles of transport phenomena in this paper.The turbulence istaken into account by using the standard k-ε model.This approach is used to study the influence ofconfiguration and viscosity on the hydrodynamics.The results are in very reasonable coincidence to ex-perimental data in literature.
文摘Different mathematical models for ethylene furnace reactor tubes were reviewed. On the basis of these models a new mathematical simulation approach for reactor tubes based on computational fluid dynamics （CFD） technique was presented. This approach took the flow, heat transfer, mass transfer and thermal cracking reactions in the reactor tubes into consideration. The coupled reactor model was solved with the SIMPLE algorithm. Some detailed information about the flow field, temperature field and concentration distribution in the reactor tubes was obtained, revealing the basic characteristics of the hydrodynamic phenomena and reaction behavior in the reactor tubes. The CFD approach provides the necessary information for conclusive decisions regarding the production optimization, the design and improvement of reactor tubes, and the new techniques implementation.
基金Supported by the National Basic Research Program of China(2005CB221405)
文摘A three-dimensional geometric model was set up for the oxidative coupling of methane(OCM) fixed bed reactor loaded with Na_3PO_4-Mn/SiO_2/cordierite monolithic catalyst,and an improved Stansch kinetic model was established to calculate the OCM reactions using the computational fluid dynamics method and Fluent software.The simulation conditions were completely the same with the experimental conditions that the volume velocity of the reactant is 80 ml·min^(-1) under standard state,the CH_4/O_2 ratio is 3 and the temperature and pressure is800 ℃ and 1 atm,respectively.The contour of the characteristic parameters in the catalyst bed was analyzed,such as the species mass fractions,temperature,the heat flux on side wall surface,pressure,fluid density and velocity.The results showed that the calculated values matched well with the experimental values on the conversion of CH4 and the selectivity of products(C_2H_6,C_2H_4,CO,CO_2 and H_2) in the reactor outlet with an error range of±4%.The mass fractions of CH_4 and O_2 decreased from 0.600 and 0.400 at the catalyst bed inlet to 0.445 and0.120 at the outlet,where the mass fractions of C_2H_6,C_2H_4,CO and CO_2 were 0.0245,0.0460,0.0537 and 0.116,respectively.Due to the existence of laminar boundary layer,the mass fraction contours of each species bent upwards in the vicinity of the boundary layer.The volume of OCM reaction was changing with the proceeding of reaction,and the total moles of products were greater than reactants.The flow field in the catalyst bed maintained constant temperature and pressure.The fluid density decreased gradually from 2.28 kg·m^(-3) at the inlet of the catalyst bed to 2.18 kg·m^(-3) at the outlet of the catalyst bed,while the average velocity magnitude increased from 0.108 m·s-1 to 0.120 m·s^(-1).
基金supported by the National Natural Science Foundation of China(21506181,21506179)Natural Science Foundation of Hunan Province(2020JJ3033,2019JJ40281,2018SK2027,2018RS3088,2019SK2112)+1 种基金Research Foundation of Education Bureau of Hunan Province(18B088)Hunan Key Laboratory of Environment Friendly Chemical Process Integration and Hunan 2011 Collaborative Innovation Center of Chemical Engineering&Technology with Environmental Benignity and Effective Resource Utilization,State Key Laboratory of High-efficiency Utilization of Coal and Green Chemical Engineering(2020-KF-11).
文摘Carbon dioxide(CO2),the main gas emitted from fossil burning,is the primary contributor to global warming.Circulating fluidized bed reactor(CFBR)is proved as an energy-efficient method for post-combustion CO2 capture.The numerical simulation by computational fluid dynamics(CFD)is believed as a promising tool to study CO2 adsorption process in CFBR.Although three-dimensional(3D)simulations were proved to have better predicting performance with the experimental results,two-dimensional(2D)simulations have been widely reported for qualitative and quantitative studies on gas-solid behavior in CFBR for its higher computational efficiency recently.However,the discrepancies between 2D and 3D simulations have rarely been evaluated by detailed study.Considering that the differences between the 2D and 3D simulations will vary substantially with the changes of independent operating conditions,it is beneficial to lower computational costs to clarify the effects of dimensionality on the numerical CO2 adsorption runs under various operating conditions.In this work,the comparative analysis for CO2 adsorption in 2D and 3D simulations was conducted to enlighten the effects of dimensionality on the hydrodynamics and reaction behaviors,in which the separation rate,species distribution and hydrodynamic characteristics were comparatively studied for both model frames.With both accuracy and computational costs considered,the viable suggestions were provided in selecting appropriate model frame for the studies on optimization of operating conditions,which directly affect the capture and energy efficiencies of cyclic CO2 capture process in CFBR.
文摘A three-dimensional geometric model of the oxidative coupling of methane （OCM） packed-bed reactor loaded with Na2WO4-Mn/SiO2 partic- ulate catalyst was set up, and an improved Stansch kinetic model was established to calculate the OCM reactions using the computational fluid dynamics method and Fluent software. The simulation conditions were completely the same with the experimental conditions that the volume velocity of the reactant was 80 mL/min under standard state, the ratio of CH4/O2 was 3, the temperature and pressure were 800 ℃ and 1 atm, respectively. The contour of the characteristics parameters in the catalyst bed was analyzed, such as the species mass fractions, temperature, the heat flux on side wall surface, pressure, fluid density and velocity. The results showed that the calculated values matched well with the experimental values on the conversion of CH4 and the selectivity to products （C2H6, C2H4, CO2, CO） in the reactor outlet with an error range of 4-2%. The mass fractions of CH4 and O2 decreased from 0.6 and 0.4 in the catalyst bed inlet to 0.436 and 0.142 in the outlet, where the mass fractions of C2H6, C2H4, CO and CO2 were 0.035, 0.061, 0.032 and 0.106, respectively. Due to the existence of laminar boundary layer, the contours of each component bent upwards in the vicinity of the boundary layer. This OCM reaction was volume increase reaction and the total moles of products were greater than those of reactants. The flow field in the catalyst bed maintained constant temperature and pressure. The fluid density decreased gradually from 2.28 kg/m3 in the inlet of the catalyst bed to 2.22 kg/m3 in the outlet of the catalyst bed, while the velocity increased from 0.108 m/s to 0.115 m/s.
基金financially supported by the National Key Research and Development Program of China (2018YFC1903603)。
文摘In the reaction process of carbonate desulfurization lead paste,the produced PbCO_(3) is easily wrapped in the outer periphery of PbSO_(4) to form a product layer,hindering the mass transfer process.Therefore,it is necessary to break the PbCO_(3) product layer.In this work,the rotor stator-reinforced reactor was selected as the enhanced desulfurization reactor for the purpose of breaking the PbCO_(3) product layer and promoting mass transfer.The breakage process of the PbCO_(3) product layer generated during the PbSO_(4) desulfurization was modeled.Computational fluid dynamics simulation to the rotation conditions was carried out to theoretically analyze the fluid flow characteristics of PbSO_(4) slurry and the wall shear stress affecting the breakage of PbCO_(3) product layer.By optimizing the rotation conditions,the distribution ratio of effective rotor wall shear stress range achieved 96.1%,and the stator wall shear stress range reached 99.15%under a rotation of 2000 r·min^(-1).The research work provides a reference for analysis of the mechanism of product layer breakage in the PbSO_(4) desulfurization process,and gives a clear and intuitive systematic study on the fluid flow characteristics and wall shear stress of the desulfurization reactor.
文摘This work investigated the applicability of heterogeneous and pseudo-homogeneous models to predict the dynamic behavior of a fixed-bed catalytic reactor. Some issues concerning the dynamic behavior of the system were discussed, such as the prediction of the inverse response phenomenon. The proposed models (Het- erogeneous I and II and Pseudo-homogeneous) were able to predict with qualitative similarity the main characteristics of the dynamic behavior of a fixed-bed catalytic reactor, including the inverse response. The computational time demanded for the solution of the heterogeneous models was 10 to 50% longer than in the case of the pseudo-homogeneous model, making the use of the former suitable for applications where computational time is not the major restriction (off-line applications). On the other hand, when on-line applications are required, the simplified model (Pseudo-homogeneous model) showed to be a good alternative because this model was able to predict (qualitatively) the dynamics of the reactor using a faster and easier numerical solution.
基金Supported by the National Natural Science Foundation of China(61673205,61503181,21727818)National Key R&D Program of China(2017YFB0307304)+1 种基金the Natural Science Foundation of Jiangsu Province(BK20141461,BK20140953)the State Key Laboratory of Materials-Oriented Chemical Engineering Open Subject(kl16-07)
文摘This paper focuses on the dynamic control of distillation column with side reactors(SRC) for methyl acetate production. To obtain the optimum integrated structure and steady state simulation, the systematic design approach based on the concept of independent reaction amount is applied to the process of SRC for methyl acetate production. In addition to the basic control loops, multi-variable model predictive control modular with methyl acetate concentration and temperature of sensitive plate is designed. Then, based on process simulation software Aspen Plus, dynamic simulation of SRC for methyl acetate production is used to verify the effectiveness of the control scheme.
