In the present study, we developed a multi-component one-dimensional mathematical model for simulation and optimisation of a commercial catalytic slurry reactor for the direct synthesis of dimethyl ether （DME） from ...In the present study, we developed a multi-component one-dimensional mathematical model for simulation and optimisation of a commercial catalytic slurry reactor for the direct synthesis of dimethyl ether （DME） from syngas and CO2, operating in a churn-turbulent regime. DME productivity and CO conversion were optimised by tuning operating conditions, such as superficial gas velocity, catalyst concentration, catalyst mass over molar gas flow rate （W/F）, syngas composition, pressure and temperature. Reactor modelling was accomplished utilising mass balance, global kinetic models and heterogeneous hydrodynamics. In the heterogeneous flow regime, gas was distributed into two bubble phases： small and large. Simulation results were validated using data obtained from a pilot plant. The developed model is also applicable for the design of large-scale slurry reactors.展开更多
As a result of shortage supply of oil resources, the process for the alternative coal-based fuel, dimethyl ether （DME）, has emerged as an important process in chemical engineering field. With the laboratory experime...As a result of shortage supply of oil resources, the process for the alternative coal-based fuel, dimethyl ether （DME）, has emerged as an important process in chemical engineering field. With the laboratory experiment data about DME synthesis and separation, the production process for DME with high purity is proposed when one-step synthesis of DME in slurry bed reactor from syngas is adopted. On the basis of experimental research and process analysis, the proper unit modules and thermophysical calculation methods for the simulation process are selected. Incorporated the experimentally determined parameters of reaction dynamic model for DME synthesis, regression constants of parameters in non-random two-liquid equation （NRTL） model for binary component in DME separation system with built-in properties model, .the process flowsheet, is.developed and simulated on the Aspen Plus platform. The simulation results coincide well with data obtained in laboratory experiment. Accordingly, the accurate simulation results offer useful references to similar equipment design and process operation optimization.展开更多
Influence of reaction temperature, pressure and space velocity on the direct synthesis of dimethyl ether (DME) from syngas is studied in an isothermal fixed-bed reactor. The catalyst is a physical mixture of C301 copp...Influence of reaction temperature, pressure and space velocity on the direct synthesis of dimethyl ether (DME) from syngas is studied in an isothermal fixed-bed reactor. The catalyst is a physical mixture of C301 copper-based methanol (MeOH) synthesis catalyst and ZSM-5 dehydration catalyst. The experimental results show that the chemical synergy between methanol synthesis reaction and methanol dehydration reaction is evident. The conversion of carbon monoxide is over 90%.展开更多
A mathematical model for a bubble column slurry reactor is presented for dimethyl ether synthesis from syngas. Methanol synthesis from carbon monoxide and carbon dioxide by hydrogenation and the methanol dehydration a...A mathematical model for a bubble column slurry reactor is presented for dimethyl ether synthesis from syngas. Methanol synthesis from carbon monoxide and carbon dioxide by hydrogenation and the methanol dehydration are considered as independent reactions, in which methanol, dimethyl ether and carbon dioxide are the key components. In this model, the gas phase is considered to be in plug flow and the liquid phase to be in partly back mixing with axial distribution of solid catalyst. The simulation results show that the axial dispersion of solid catalysts, the operational height of the slurry phase in the bubble column slurry reactor, and the reaction results are influenced by the reaction temperature and pressure, which are the basic data for the scale-up of reactor.展开更多
Mathematical simulation was performed on tube-shell reactor for dimethyl ether （DME） synthesis from coal-based syngas. The model was established based on kinetics of dimethyl-ether synthesis from syngas over a bifun...Mathematical simulation was performed on tube-shell reactor for dimethyl ether （DME） synthesis from coal-based syngas. The model was established based on kinetics of dimethyl-ether synthesis from syngas over a bifunctional catalyst, which is mixed by methanol synthesis catalyst and dehydration catalyst as 1：1 mass ratio. Methanol synthesis from CO and CO2 and methanol dehydration were selected as three-independent reactions, CO, CO2, and DME as key components to estab- lish the one-dimensional mathematical model of the reactor. The gas concentration and temperature profiles inside the reactor tubes were obtained. The operating conditions affecting DME synthesis were also discussed based on the model. The simula- tions indicate that higher pressure and lower temperature at the inlet and rich hydrogen in the reactant are favorable in direct DME synthesis in fixed-bed process, and the temperature of boiling water affect the reactor performance seriously.展开更多
文摘In the present study, we developed a multi-component one-dimensional mathematical model for simulation and optimisation of a commercial catalytic slurry reactor for the direct synthesis of dimethyl ether （DME） from syngas and CO2, operating in a churn-turbulent regime. DME productivity and CO conversion were optimised by tuning operating conditions, such as superficial gas velocity, catalyst concentration, catalyst mass over molar gas flow rate （W/F）, syngas composition, pressure and temperature. Reactor modelling was accomplished utilising mass balance, global kinetic models and heterogeneous hydrodynamics. In the heterogeneous flow regime, gas was distributed into two bubble phases： small and large. Simulation results were validated using data obtained from a pilot plant. The developed model is also applicable for the design of large-scale slurry reactors.
基金Supported by the National Technology Support Program of China(2006BAE02B02)the National Basic Research Program of China (2005CB221205)
文摘As a result of shortage supply of oil resources, the process for the alternative coal-based fuel, dimethyl ether （DME）, has emerged as an important process in chemical engineering field. With the laboratory experiment data about DME synthesis and separation, the production process for DME with high purity is proposed when one-step synthesis of DME in slurry bed reactor from syngas is adopted. On the basis of experimental research and process analysis, the proper unit modules and thermophysical calculation methods for the simulation process are selected. Incorporated the experimentally determined parameters of reaction dynamic model for DME synthesis, regression constants of parameters in non-random two-liquid equation （NRTL） model for binary component in DME separation system with built-in properties model, .the process flowsheet, is.developed and simulated on the Aspen Plus platform. The simulation results coincide well with data obtained in laboratory experiment. Accordingly, the accurate simulation results offer useful references to similar equipment design and process operation optimization.
文摘Influence of reaction temperature, pressure and space velocity on the direct synthesis of dimethyl ether (DME) from syngas is studied in an isothermal fixed-bed reactor. The catalyst is a physical mixture of C301 copper-based methanol (MeOH) synthesis catalyst and ZSM-5 dehydration catalyst. The experimental results show that the chemical synergy between methanol synthesis reaction and methanol dehydration reaction is evident. The conversion of carbon monoxide is over 90%.
文摘A mathematical model for a bubble column slurry reactor is presented for dimethyl ether synthesis from syngas. Methanol synthesis from carbon monoxide and carbon dioxide by hydrogenation and the methanol dehydration are considered as independent reactions, in which methanol, dimethyl ether and carbon dioxide are the key components. In this model, the gas phase is considered to be in plug flow and the liquid phase to be in partly back mixing with axial distribution of solid catalyst. The simulation results show that the axial dispersion of solid catalysts, the operational height of the slurry phase in the bubble column slurry reactor, and the reaction results are influenced by the reaction temperature and pressure, which are the basic data for the scale-up of reactor.
文摘Mathematical simulation was performed on tube-shell reactor for dimethyl ether （DME） synthesis from coal-based syngas. The model was established based on kinetics of dimethyl-ether synthesis from syngas over a bifunctional catalyst, which is mixed by methanol synthesis catalyst and dehydration catalyst as 1：1 mass ratio. Methanol synthesis from CO and CO2 and methanol dehydration were selected as three-independent reactions, CO, CO2, and DME as key components to estab- lish the one-dimensional mathematical model of the reactor. The gas concentration and temperature profiles inside the reactor tubes were obtained. The operating conditions affecting DME synthesis were also discussed based on the model. The simula- tions indicate that higher pressure and lower temperature at the inlet and rich hydrogen in the reactant are favorable in direct DME synthesis in fixed-bed process, and the temperature of boiling water affect the reactor performance seriously.
