Catalytic coal gasification is a promising technology in the field of clean coal utilization.A comprehensive understanding of mechanisms,reaction kinetic,and reactor model is crucial.This article summarizes and analyz...Catalytic coal gasification is a promising technology in the field of clean coal utilization.A comprehensive understanding of mechanisms,reaction kinetic,and reactor model is crucial.This article summarizes and analyzes the catalytic mechanisms of key reactions,such as C-O_(2),C-CO_(2),C-H_(2)O,and CO-H_(2).It also compares various kinetic models,including shrinking core model,random pore model,volume model and their respective modifications.Additionally,the article delves into mathematical modellings of catalytic coal gasification,encompassing molecular models or density functional theory,empirical model,computational fuid dynamics,Aspen modeling,and artificial neural network.The aim is to provide a roadmap for the development and scale up of reactors used in catalytic coal gasification.展开更多
The crystal structure evolution of the Cu-rich nano precipitates from bcc to 9R during thermal aging was studied in nuclear reactor pressure vessel （RPV） model steels. The specimens, contained higher copper and nick...The crystal structure evolution of the Cu-rich nano precipitates from bcc to 9R during thermal aging was studied in nuclear reactor pressure vessel （RPV） model steels. The specimens, contained higher copper and nickel contents than commercially available one, were heated at 890 ~C for 0.5 h and then water quenched followed by tempering at 0（50 ~C for I0 h and aging at 400 ~C for 1000 h. It was observed that bcc and 9R orthogonal structure, as well as 9R orthogonal and 9R monoclinic structure, coexist in a single Cu-rich nano precipitate. Further analyses pointed out that Cu-rich nano precipitates of bcc structure were not stable, it may preferentially transform to 9R orthogonal structure and then to 9R monoclinic structure. This results showed that the crystal structure evolution of the Cu-rich nano precipitates was complex.展开更多
Evaporating bubble column reactor (EBCR) is a kind of aerated reactor in which the reaction heat is removed by the evaporation of volatile reaction mixture. In this paper, a mathematical model that accounts for the ga...Evaporating bubble column reactor (EBCR) is a kind of aerated reactor in which the reaction heat is removed by the evaporation of volatile reaction mixture. In this paper, a mathematical model that accounts for the gas-liquid exothermic reaction and axial dispersions of both gas and liquid phase is employed to study the performance of EBCR for the process of p-xylene(PX) oxidation. The computational results show that there are remarkable concentration and temperature gradients in EBCR for high ratio of height to diameter (H/DT). The temperature is lower at the bottom of column and higher at the top, due to rapid evaporation induced by the feed gas near the bottom. The concentration profiles in the gas phase are more nonuniform than those (except PX) in the liquid phase, which causes more solvent burning consumption at high H/DT ratio. For p-xylene oxidation, theo ptimal H/DT is around 5.展开更多
On the basis of the global CO consumption rate model, the lumped product distribution model and the sedimenta- tion-dispersion model of a catalyst, a steady-state, one-dimensional mathematical model of the slurry bubb...On the basis of the global CO consumption rate model, the lumped product distribution model and the sedimenta- tion-dispersion model of a catalyst, a steady-state, one-dimensional mathematical model of the slurry bubble column reactor for Fischer-Tropsch synthesis were established. The mathematical simulation of the slurry bubble column reactor for Fischer-Tropsch synthesis was carried out under the following typical industrial operating conditions： temperature 230 ℃, pressure 3.0 MPa, gas flow 5x 105 m3/h, catalyst content in slurry phase 30%, reactor diameter 5.0 m and the composition of feed gas： y（H2）=0.60, y（CO）=0.30, y（N2）=0.10. The influences of operating pressure, temperature and re（HE）Ira（CO） in feed gas on the reactor＇s reaction performance were simulated.展开更多
A novel photocatalytic reactor was developed to remove （1,1-bis（4-chlorophenyl）-2,2,2-trichloroethane） （DDT） from water. In the reactor, a cenosphere was used to support TiO2 film made by means of sol-gel. Becau...A novel photocatalytic reactor was developed to remove （1,1-bis（4-chlorophenyl）-2,2,2-trichloroethane） （DDT） from water. In the reactor, a cenosphere was used to support TiO2 film made by means of sol-gel. Because the cenospheres were coated with TiO2, their specific gravity was slightly increased from the original 0.6-0.8 to 0.8-0.9, so that they were able to be suspended in water. With the mixed operation of a bubbler, the water in the reactor was in a well-fluidized state. The bottom of the reactor is a sand filter bed, which can be used to prevent the photocatalyst from being lost. A mathematical model of the reactor has been developed in the two primary influential factors： ultraviolet （UV） light intensity and photocatalyst concentration. With such a model, the reactor can be designed more reasonably.展开更多
A molten salt reactor(MSR) is one of the six advanced reactor concepts selected by the generation Ⅳ international forum because of its advantages of inherent safety, and the promising capabilities of Th-U breeding an...A molten salt reactor(MSR) is one of the six advanced reactor concepts selected by the generation Ⅳ international forum because of its advantages of inherent safety, and the promising capabilities of Th-U breeding and transuranics transmutation. A dynamics model for the channel-type MSR is developed in this work based on a three-dimensional thermal–hydraulic model(3DTH) and a point reactor model. The 3DTH couples a three-dimensional heat conduction model and a one-dimensional single-phase flow model that can accurately consider the heat conduction between different assemblies. The 3DTH is validated by the RELAP5 code in terms of the temperature and mass flow distribution calculation. A point reactor model considering the drift of delayed neutron precursors is adopted in the dynamics model. To verify the dynamics model, three experiments from the molten salt reactor experiment are simulated. The agreement of the experimental data and simulation results was excellent.With the aid of this model, the unprotected step reactivity addition and unprotected loss of flow of the 2 MWt experimental MSR are modeled, and the reactor power and temperature evolution are analyzed.展开更多
In this study, rheological examination of the mixture of a tubular reactor in which methyl methacrylate was polymerized has been studied. The n(flow behavior index) value of Power Law Model of mixture contained in the...In this study, rheological examination of the mixture of a tubular reactor in which methyl methacrylate was polymerized has been studied. The n(flow behavior index) value of Power Law Model of mixture contained in the reactor has been determined within the span of 0.3492 to 0.9889 by curve fitting. Employing these numerical data for velocity profile, the reactor has been modeled. Moreover, the functions of the reactor have been compared in the three modes of plug, mixed and laminar flow. The results obtained in this research indicate that the polymethyl methacrylate mixture contained in the reactor is pseudo-plastic. Moreover, as the conversion grows, the velocity profile starts as a parabolic profile and approaches the plug mode; although it never reaches the plug. The other conclusions borne in this study indicate that when the reactor's radius is decreased, the conversion rate grows. However, as decreasing the radius would also reduce the productions rate, this procedure is not economical. Finally, in this modeling, the amount of conversion is equal to 56.47% at the end and according to its laboratory proportion which is 55.88%, it has reached the conclusion that the modeling duly undertaken is applicable and valid.展开更多
On the basis of the analysis of the process of treating low concentrations of sulfur dioxide （SO2） gas in a fixed bed reactor, a kinetic model is proposed for this process after taking into consideration the effects...On the basis of the analysis of the process of treating low concentrations of sulfur dioxide （SO2） gas in a fixed bed reactor, a kinetic model is proposed for this process after taking into consideration the effects of internal diffusion, cell concentration, and production yield of microorganisms but ignoring the effect of external diffusion. The results obtained from the model simulation show that this model can indicate the influence of the process factors, Cin, η μmax, Cx, A, h, Kin, and Q, on the removal of SO2 and that the prediction of the results by this model is also satisfactory. This kinetic model can also provide some very important indications regarding the preparation of immobilized microorganisms, selection and domestication of proper species of microorganisms, as well as the design of bioreactors.展开更多
The simulation was made based on the model of pipe-shell reactor that was established by the model of global kinetics of synthesis of dimethyl ether from syngas over a bifunctional catalyst. The results of simulation ...The simulation was made based on the model of pipe-shell reactor that was established by the model of global kinetics of synthesis of dimethyl ether from syngas over a bifunctional catalyst. The results of simulation showed that the selectivity for dimethyl ether （DME） and the conversion of CO were higher but the hot spot was kept below the temperature limit of the pipe-shell reactor. The suitable diameter of the pipe was φ38×2 mm, and the length of the pipe was 5.8 m. The optimal process conditions of the reactor were that the pressure was 5 MPa, the temperature of the cooling water was 240 ℃, and the temperature of the raw gas at inlet of the reactor was 220 ℃. The production of this reactor was 102800 t/y （ton per year） under these conditions.展开更多
Fischer-Tropsch synthesis is an important chemical process for the production of liquid fuels and olefins. In recent years, the abundant availability of natural gas and the increasing demand of olefins, diesel, and wa...Fischer-Tropsch synthesis is an important chemical process for the production of liquid fuels and olefins. In recent years, the abundant availability of natural gas and the increasing demand of olefins, diesel, and waxes have led to a high interest to further develop this process. A mathematical model of a slurry membrane reactor used for syngas polymerization was developed to simulate and compare the maximum yields and operating conditions in the reactor with that in a conventional slurry reactor. The carbon polymerization was studied from a modeling point of view in a slurry reactor with a water permeable membrane and a conventional slurry reactor. Simulation results show that different parameters affect syngas conversion and carbon product distribution, such as the hydrogen to carbon monoxide ratio, and the membrane parameters such as membrane permeance.展开更多
This research work developed a model for the MIP riser reactor using the data collected from an industrial MIP unit.Based on analysis of flow patterns in the reactor,three models were established and a comparison was ...This research work developed a model for the MIP riser reactor using the data collected from an industrial MIP unit.Based on analysis of flow patterns in the reactor,three models were established and a comparison was made on each other.The results indicated that Model Ⅲ,which was assumed a plug flow in the first reaction zone and a gas plug flow and a continuously stirred catalyst flow in the second reaction zone,was the best.The results of this research could offer an information and guidance for optimization and development of MIP unit.展开更多
Metal organic chenlical vapor deposition （AIOCVD） growth systems arc one of the. main types of equipment used for growing single crystal materials, such as GaN. To obtain fihn epitaxial materials with uniform perfor...Metal organic chenlical vapor deposition （AIOCVD） growth systems arc one of the. main types of equipment used for growing single crystal materials, such as GaN. To obtain fihn epitaxial materials with uniform performanee, the flow field and ternperature field in a GaN-MOCVD reactor are investigated by modeling and simulating. To make the simulation results more consistent with the actual situation, the gases in the reactor are considered to be compressible, making it possible to investigate the distributions of gas density and pressure in the reactor. The computational fluid dynamics method is used to stud,v the effects of inlet gas flow velocity, pressure in the reactor, rotational speed of graphite susceptor, and gases used in the growth, which has great guiding~ significance for the growth of GaN fihn materials.展开更多
Reactor models were developed to describe the isomerization reaction process of C_(8) aromatics by applying a six-component sequential reaction network.Lab-scale experimental data were used in an axial bed reactor mod...Reactor models were developed to describe the isomerization reaction process of C_(8) aromatics by applying a six-component sequential reaction network.Lab-scale experimental data were used in an axial bed reactor model,and dynamic parameters were fitted by simulated annealing algorithm.In addition,industrial data and calculated dynamic parameters were used to determine the six-component concentration distributions using a radial reactor model.The influence of back-mixing on reaction performance was investigated.It was found that the model considering back-mixing was much closer to the real industrial reaction process.展开更多
The Statistical Experimental Design techniques are the most powerful tools for the chemical reactors experimental modeling. Empirical models can be formulated for representing the chemical behavior of reactors with th...The Statistical Experimental Design techniques are the most powerful tools for the chemical reactors experimental modeling. Empirical models can be formulated for representing the chemical behavior of reactors with the minimal effort in the necessary number of experimental runs, hence, minimizing the consumption of chemicals and the consumption of time due to the reduction in the number of experimental runs and increasing the certainty of the results. Four types of nonthermal plasma reactors were assayed seeking for the highest efficiency in obtaining hydrogen and ethylene. Three different geometries for AC high voltage driven reactors, and only a single geometry for a DC high voltage pulse driven reactor were studied. According to the fundamental principles of chemical kinetics and considering an analogy among the reaction rate and the applied power to the plasma reactor, the four reactors are modeled following the classical chemical reactors design to understand if the behavior of the nonthermal plasma reactors can be regarded as the chemical reactors following the flow patterns of PFR (Plug Flow Reactor) or CSTR (Continuous Stirred Tank Reactor). Dehydrogenation is a common elimination reaction that takes place in nonthermal plasmas. Owing to this characteristic, a paraffinic heavy oil with an average molecular weight corresponding to C15 was used to study the production of light olefins and hydrogen.展开更多
Dynamic Models for predicting the concentration profiles of the reactants and product in a Continuous Stirred Tank Reactor for the transesterification of used cooking oil (triglyceride) to biodiesel has been developed...Dynamic Models for predicting the concentration profiles of the reactants and product in a Continuous Stirred Tank Reactor for the transesterification of used cooking oil (triglyceride) to biodiesel has been developed using the principle of conservation of mass. The developed system of differential equations were integrated numerically using fourth order Runge-Kutta algorithm embedded in ode 45 solver of 7.5 Mathlab program. The models were validated by solving the model equations with kinetic data and other relevant data from literatures. The results and trends were similar and in agreement with those from these literatures. Simulations of the reactor to (±) step changes in the inlet flowrates of the reactants (used cooking oil and methanol) showed great effect on biodiesel production, (instability—oscillations and reduction in output concentration of biodiesel). A feedback control strategy was developed with a Proportional-Integral (PI) Controller and a close loop model was developed for control studies. The closed loop response of the reactor output (biodiesel concentration) showed continuous oscillatory response with offset. Hence the controller parameters (proportional gain <em>K</em><em><sub>c</sub></em> and integral time <img src="Edit_b22777c4-287e-4ff4-a82a-0b5c9393b5ab.bmp" alt="" />) were tuned using the “On-Line Trial and Error Method” implemented using MathLab Simulink to obtain optimum values that ensured quick stability of the closed-loop system, reduced or no oscillatory response and no offset. The optimum controller parameters were: proportional gain <em style="white-space:normal;">K</em><em style="white-space:normal;"><sub>c</sub></em> =8.306 and integral time <img src="Edit_7ad87ff7-7563-48b0-865b-70efc6c433cd.bmp" alt="" />= 17.157 minutes. <p> <br /> </p>展开更多
The formation of methane hydrate was undertaken in this research. The purpose of this work was to model the methane hydrate formation with a hydrate-water–methane system in a semi-batch reactor under steady–state, i...The formation of methane hydrate was undertaken in this research. The purpose of this work was to model the methane hydrate formation with a hydrate-water–methane system in a semi-batch reactor under steady–state, isothermal and isobaric conditions. Obtained results were validated with experiments conducted in a semi-batch spray reactor at low temperatures and high pressures. The investigated formation of gas hydrate from pure methane required physical constants of these materials which were determined through experimental data. The experiments hence, the theoretical calculations were conducted with pure methane and carried out in a spray reactor at 273.95K and 8705kPa to determine the actual amount of hydrate formation in such reactor. Ultimately;the comparison of the results generated from the developed mathematical model with those of experimental data of others indicated a very satisfactory agreement obtained.展开更多
A dynamic mass transfer model of isobutane/butene alkylation over solid acid catalysts in a fixed bed reactor was established. In the model, a modified equation for the relationship between point activity and effectiv...A dynamic mass transfer model of isobutane/butene alkylation over solid acid catalysts in a fixed bed reactor was established. In the model, a modified equation for the relationship between point activity and effective diffusion coefficient was proposed. It is found that the simulation results fit the experimental data well and the breakthrough time of the bed layer is predicted accurately. By modeling the alkylation process, the time-space distribution of butene and point activity profiles of catalysts can be obtained. Furthermore, the reasons for the deactivation of solid acid catalysts were investigated. It indicates that the main reason for the deactivation of catalysts is the site coverage near the inlet of the reactor, while it is ascribed to the steric effect in the region far away from the inlet.展开更多
Two identical full-scale biogas-lift reactors treating brewery wastewater were inoculated with different types of sludge to compare their operational conditions, sludge characteristics, and kinetic models at a mesophi...Two identical full-scale biogas-lift reactors treating brewery wastewater were inoculated with different types of sludge to compare their operational conditions, sludge characteristics, and kinetic models at a mesophilic temperature. One reactor （R1） started up with anaerobic granular sludge in 12 weeks and obtained a continuously average organic loading rate （OLR） of 7.4 kg chemical oxygen demand （COD）/（m3.day）, COD removal efficiency of 80%, and effluent COD of 450 mg/L. The other reactor （R2） started up with residual activated sludge in 30 weeks and granulation accomplished when the reactor reached an average OLR of 8.3 kg COD/（m^3·day）, COD removal efficiency of 90%, and effluent COD of 240 mg/L. Differences in sludge characteristics,biogas compositions, and biogas- lift processes may be accounted for the superior efficiency of the treatment performance of R2 over R1. Grau second-order and modified StoverKincannon models based on influent and effluent concentrations as well as hydraulic retention time were successfully used to develop kinetic parameters of the experimental data with high correlation coefficients （R2 〉 0.95）, which further showed that R2 had higher treatment performance than R1. These results demonstrated that residual activated sludge could be used effectively instead of anaerobic granular sludge despite the need for a longer time.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
基金This work was financially supported by Fundamental Research Program of Shanxi Province(20210302124357)State Key Laboratory of Clean and Efficient Coal Utilization,Taiyuan University of Technology(SKL202103)+4 种基金Development Program of Shanxi Province(202102090301029)National Natural Science Foundation of China(22169017)Shanxi Provincial NSF(20210302124096)Scientific and Technological Innovation Programs of Higher Education Institution in Shanxi(2022L569)Science and Technology Plan Project in Lu Liang(2022SHFZ36).
文摘Catalytic coal gasification is a promising technology in the field of clean coal utilization.A comprehensive understanding of mechanisms,reaction kinetic,and reactor model is crucial.This article summarizes and analyzes the catalytic mechanisms of key reactions,such as C-O_(2),C-CO_(2),C-H_(2)O,and CO-H_(2).It also compares various kinetic models,including shrinking core model,random pore model,volume model and their respective modifications.Additionally,the article delves into mathematical modellings of catalytic coal gasification,encompassing molecular models or density functional theory,empirical model,computational fuid dynamics,Aspen modeling,and artificial neural network.The aim is to provide a roadmap for the development and scale up of reactors used in catalytic coal gasification.
基金financially supported by the National Basic Research Program of China(No.2011CB610503)National Natural Science Foundation of China(No.50931003)Ministry of Major Subject of Shanghai(No.S30107)
文摘The crystal structure evolution of the Cu-rich nano precipitates from bcc to 9R during thermal aging was studied in nuclear reactor pressure vessel （RPV） model steels. The specimens, contained higher copper and nickel contents than commercially available one, were heated at 890 ~C for 0.5 h and then water quenched followed by tempering at 0（50 ~C for I0 h and aging at 400 ~C for 1000 h. It was observed that bcc and 9R orthogonal structure, as well as 9R orthogonal and 9R monoclinic structure, coexist in a single Cu-rich nano precipitate. Further analyses pointed out that Cu-rich nano precipitates of bcc structure were not stable, it may preferentially transform to 9R orthogonal structure and then to 9R monoclinic structure. This results showed that the crystal structure evolution of the Cu-rich nano precipitates was complex.
基金Supported by the National Natural Science Foundation of China (No. 20076039) and SINOPEC.
文摘Evaporating bubble column reactor (EBCR) is a kind of aerated reactor in which the reaction heat is removed by the evaporation of volatile reaction mixture. In this paper, a mathematical model that accounts for the gas-liquid exothermic reaction and axial dispersions of both gas and liquid phase is employed to study the performance of EBCR for the process of p-xylene(PX) oxidation. The computational results show that there are remarkable concentration and temperature gradients in EBCR for high ratio of height to diameter (H/DT). The temperature is lower at the bottom of column and higher at the top, due to rapid evaporation induced by the feed gas near the bottom. The concentration profiles in the gas phase are more nonuniform than those (except PX) in the liquid phase, which causes more solvent burning consumption at high H/DT ratio. For p-xylene oxidation, theo ptimal H/DT is around 5.
文摘On the basis of the global CO consumption rate model, the lumped product distribution model and the sedimenta- tion-dispersion model of a catalyst, a steady-state, one-dimensional mathematical model of the slurry bubble column reactor for Fischer-Tropsch synthesis were established. The mathematical simulation of the slurry bubble column reactor for Fischer-Tropsch synthesis was carried out under the following typical industrial operating conditions： temperature 230 ℃, pressure 3.0 MPa, gas flow 5x 105 m3/h, catalyst content in slurry phase 30%, reactor diameter 5.0 m and the composition of feed gas： y（H2）=0.60, y（CO）=0.30, y（N2）=0.10. The influences of operating pressure, temperature and re（HE）Ira（CO） in feed gas on the reactor＇s reaction performance were simulated.
基金supported by the National Science and Technology Support Program of China (No. 2006BAJ08B06)the Major Projects on Control and Rectification of Water Body Pollution by Ministry of Environmental Protection (No. 2008ZX07421-002), China
文摘A novel photocatalytic reactor was developed to remove （1,1-bis（4-chlorophenyl）-2,2,2-trichloroethane） （DDT） from water. In the reactor, a cenosphere was used to support TiO2 film made by means of sol-gel. Because the cenospheres were coated with TiO2, their specific gravity was slightly increased from the original 0.6-0.8 to 0.8-0.9, so that they were able to be suspended in water. With the mixed operation of a bubbler, the water in the reactor was in a well-fluidized state. The bottom of the reactor is a sand filter bed, which can be used to prevent the photocatalyst from being lost. A mathematical model of the reactor has been developed in the two primary influential factors： ultraviolet （UV） light intensity and photocatalyst concentration. With such a model, the reactor can be designed more reasonably.
基金supported by the Chinese TMSR Strategic Pioneer Science and Technology Project(No.XDA02010000)the Frontier Science Key Program of the Chinese Academy of Sciences(No.QYZDY-SSW-JSC016)the National Natural Science Foundation of China Key Program(No.91326201)
文摘A molten salt reactor(MSR) is one of the six advanced reactor concepts selected by the generation Ⅳ international forum because of its advantages of inherent safety, and the promising capabilities of Th-U breeding and transuranics transmutation. A dynamics model for the channel-type MSR is developed in this work based on a three-dimensional thermal–hydraulic model(3DTH) and a point reactor model. The 3DTH couples a three-dimensional heat conduction model and a one-dimensional single-phase flow model that can accurately consider the heat conduction between different assemblies. The 3DTH is validated by the RELAP5 code in terms of the temperature and mass flow distribution calculation. A point reactor model considering the drift of delayed neutron precursors is adopted in the dynamics model. To verify the dynamics model, three experiments from the molten salt reactor experiment are simulated. The agreement of the experimental data and simulation results was excellent.With the aid of this model, the unprotected step reactivity addition and unprotected loss of flow of the 2 MWt experimental MSR are modeled, and the reactor power and temperature evolution are analyzed.
基金Supported by Iran Polymer and Petrochemical Institute
文摘In this study, rheological examination of the mixture of a tubular reactor in which methyl methacrylate was polymerized has been studied. The n(flow behavior index) value of Power Law Model of mixture contained in the reactor has been determined within the span of 0.3492 to 0.9889 by curve fitting. Employing these numerical data for velocity profile, the reactor has been modeled. Moreover, the functions of the reactor have been compared in the three modes of plug, mixed and laminar flow. The results obtained in this research indicate that the polymethyl methacrylate mixture contained in the reactor is pseudo-plastic. Moreover, as the conversion grows, the velocity profile starts as a parabolic profile and approaches the plug mode; although it never reaches the plug. The other conclusions borne in this study indicate that when the reactor's radius is decreased, the conversion rate grows. However, as decreasing the radius would also reduce the productions rate, this procedure is not economical. Finally, in this modeling, the amount of conversion is equal to 56.47% at the end and according to its laboratory proportion which is 55.88%, it has reached the conclusion that the modeling duly undertaken is applicable and valid.
基金This project was supported by the National Natural Science Foundation of China (2003E0027M)
文摘On the basis of the analysis of the process of treating low concentrations of sulfur dioxide （SO2） gas in a fixed bed reactor, a kinetic model is proposed for this process after taking into consideration the effects of internal diffusion, cell concentration, and production yield of microorganisms but ignoring the effect of external diffusion. The results obtained from the model simulation show that this model can indicate the influence of the process factors, Cin, η μmax, Cx, A, h, Kin, and Q, on the removal of SO2 and that the prediction of the results by this model is also satisfactory. This kinetic model can also provide some very important indications regarding the preparation of immobilized microorganisms, selection and domestication of proper species of microorganisms, as well as the design of bioreactors.
基金Development Project of Shanghai Priority Academic Discipline and Development of Research Projects of China Petroleum and Natural Gas Corporation (No.03js-079)
文摘The simulation was made based on the model of pipe-shell reactor that was established by the model of global kinetics of synthesis of dimethyl ether from syngas over a bifunctional catalyst. The results of simulation showed that the selectivity for dimethyl ether （DME） and the conversion of CO were higher but the hot spot was kept below the temperature limit of the pipe-shell reactor. The suitable diameter of the pipe was φ38×2 mm, and the length of the pipe was 5.8 m. The optimal process conditions of the reactor were that the pressure was 5 MPa, the temperature of the cooling water was 240 ℃, and the temperature of the raw gas at inlet of the reactor was 220 ℃. The production of this reactor was 102800 t/y （ton per year） under these conditions.
文摘Fischer-Tropsch synthesis is an important chemical process for the production of liquid fuels and olefins. In recent years, the abundant availability of natural gas and the increasing demand of olefins, diesel, and waxes have led to a high interest to further develop this process. A mathematical model of a slurry membrane reactor used for syngas polymerization was developed to simulate and compare the maximum yields and operating conditions in the reactor with that in a conventional slurry reactor. The carbon polymerization was studied from a modeling point of view in a slurry reactor with a water permeable membrane and a conventional slurry reactor. Simulation results show that different parameters affect syngas conversion and carbon product distribution, such as the hydrogen to carbon monoxide ratio, and the membrane parameters such as membrane permeance.
文摘This research work developed a model for the MIP riser reactor using the data collected from an industrial MIP unit.Based on analysis of flow patterns in the reactor,three models were established and a comparison was made on each other.The results indicated that Model Ⅲ,which was assumed a plug flow in the first reaction zone and a gas plug flow and a continuously stirred catalyst flow in the second reaction zone,was the best.The results of this research could offer an information and guidance for optimization and development of MIP unit.
基金Supported by the National Key R&D Program of China under Grant No 2016YFB0400104
文摘Metal organic chenlical vapor deposition （AIOCVD） growth systems arc one of the. main types of equipment used for growing single crystal materials, such as GaN. To obtain fihn epitaxial materials with uniform performanee, the flow field and ternperature field in a GaN-MOCVD reactor are investigated by modeling and simulating. To make the simulation results more consistent with the actual situation, the gases in the reactor are considered to be compressible, making it possible to investigate the distributions of gas density and pressure in the reactor. The computational fluid dynamics method is used to stud,v the effects of inlet gas flow velocity, pressure in the reactor, rotational speed of graphite susceptor, and gases used in the growth, which has great guiding~ significance for the growth of GaN fihn materials.
文摘Reactor models were developed to describe the isomerization reaction process of C_(8) aromatics by applying a six-component sequential reaction network.Lab-scale experimental data were used in an axial bed reactor model,and dynamic parameters were fitted by simulated annealing algorithm.In addition,industrial data and calculated dynamic parameters were used to determine the six-component concentration distributions using a radial reactor model.The influence of back-mixing on reaction performance was investigated.It was found that the model considering back-mixing was much closer to the real industrial reaction process.
文摘The Statistical Experimental Design techniques are the most powerful tools for the chemical reactors experimental modeling. Empirical models can be formulated for representing the chemical behavior of reactors with the minimal effort in the necessary number of experimental runs, hence, minimizing the consumption of chemicals and the consumption of time due to the reduction in the number of experimental runs and increasing the certainty of the results. Four types of nonthermal plasma reactors were assayed seeking for the highest efficiency in obtaining hydrogen and ethylene. Three different geometries for AC high voltage driven reactors, and only a single geometry for a DC high voltage pulse driven reactor were studied. According to the fundamental principles of chemical kinetics and considering an analogy among the reaction rate and the applied power to the plasma reactor, the four reactors are modeled following the classical chemical reactors design to understand if the behavior of the nonthermal plasma reactors can be regarded as the chemical reactors following the flow patterns of PFR (Plug Flow Reactor) or CSTR (Continuous Stirred Tank Reactor). Dehydrogenation is a common elimination reaction that takes place in nonthermal plasmas. Owing to this characteristic, a paraffinic heavy oil with an average molecular weight corresponding to C15 was used to study the production of light olefins and hydrogen.
文摘Dynamic Models for predicting the concentration profiles of the reactants and product in a Continuous Stirred Tank Reactor for the transesterification of used cooking oil (triglyceride) to biodiesel has been developed using the principle of conservation of mass. The developed system of differential equations were integrated numerically using fourth order Runge-Kutta algorithm embedded in ode 45 solver of 7.5 Mathlab program. The models were validated by solving the model equations with kinetic data and other relevant data from literatures. The results and trends were similar and in agreement with those from these literatures. Simulations of the reactor to (±) step changes in the inlet flowrates of the reactants (used cooking oil and methanol) showed great effect on biodiesel production, (instability—oscillations and reduction in output concentration of biodiesel). A feedback control strategy was developed with a Proportional-Integral (PI) Controller and a close loop model was developed for control studies. The closed loop response of the reactor output (biodiesel concentration) showed continuous oscillatory response with offset. Hence the controller parameters (proportional gain <em>K</em><em><sub>c</sub></em> and integral time <img src="Edit_b22777c4-287e-4ff4-a82a-0b5c9393b5ab.bmp" alt="" />) were tuned using the “On-Line Trial and Error Method” implemented using MathLab Simulink to obtain optimum values that ensured quick stability of the closed-loop system, reduced or no oscillatory response and no offset. The optimum controller parameters were: proportional gain <em style="white-space:normal;">K</em><em style="white-space:normal;"><sub>c</sub></em> =8.306 and integral time <img src="Edit_7ad87ff7-7563-48b0-865b-70efc6c433cd.bmp" alt="" />= 17.157 minutes. <p> <br /> </p>
文摘The formation of methane hydrate was undertaken in this research. The purpose of this work was to model the methane hydrate formation with a hydrate-water–methane system in a semi-batch reactor under steady–state, isothermal and isobaric conditions. Obtained results were validated with experiments conducted in a semi-batch spray reactor at low temperatures and high pressures. The investigated formation of gas hydrate from pure methane required physical constants of these materials which were determined through experimental data. The experiments hence, the theoretical calculations were conducted with pure methane and carried out in a spray reactor at 273.95K and 8705kPa to determine the actual amount of hydrate formation in such reactor. Ultimately;the comparison of the results generated from the developed mathematical model with those of experimental data of others indicated a very satisfactory agreement obtained.
文摘A dynamic mass transfer model of isobutane/butene alkylation over solid acid catalysts in a fixed bed reactor was established. In the model, a modified equation for the relationship between point activity and effective diffusion coefficient was proposed. It is found that the simulation results fit the experimental data well and the breakthrough time of the bed layer is predicted accurately. By modeling the alkylation process, the time-space distribution of butene and point activity profiles of catalysts can be obtained. Furthermore, the reasons for the deactivation of solid acid catalysts were investigated. It indicates that the main reason for the deactivation of catalysts is the site coverage near the inlet of the reactor, while it is ascribed to the steric effect in the region far away from the inlet.
基金supported by the National Natural Science Foundation of China (No.NSFC20976069)the Fundamental Research Funds for the Central Universities,China (No.JUSRP111A12)+1 种基金the Higher School Science and Technology Innovation Project of Cultivating the Capital Project,China (No.708048)the Selfdetermined Research Program of Jiangnan University (No.JUSRP11006)
文摘Two identical full-scale biogas-lift reactors treating brewery wastewater were inoculated with different types of sludge to compare their operational conditions, sludge characteristics, and kinetic models at a mesophilic temperature. One reactor （R1） started up with anaerobic granular sludge in 12 weeks and obtained a continuously average organic loading rate （OLR） of 7.4 kg chemical oxygen demand （COD）/（m3.day）, COD removal efficiency of 80%, and effluent COD of 450 mg/L. The other reactor （R2） started up with residual activated sludge in 30 weeks and granulation accomplished when the reactor reached an average OLR of 8.3 kg COD/（m^3·day）, COD removal efficiency of 90%, and effluent COD of 240 mg/L. Differences in sludge characteristics,biogas compositions, and biogas- lift processes may be accounted for the superior efficiency of the treatment performance of R2 over R1. Grau second-order and modified StoverKincannon models based on influent and effluent concentrations as well as hydraulic retention time were successfully used to develop kinetic parameters of the experimental data with high correlation coefficients （R2 〉 0.95）, which further showed that R2 had higher treatment performance than R1. These results demonstrated that residual activated sludge could be used effectively instead of anaerobic granular sludge despite the need for a longer time.
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.
