外冷列管式耐硫煤气甲烷化反应器分析

使用Ｃｒａｎｋ－Ｎｉｃｏｌｓｏｎ隐格式差分法求解耐硫甲烷化固定床反应器的二维拟均相模型，通过模拟分析，考究管径、管数、反应气入口状态（压力、温度）、溶盐流量及入口温度对反应器操作的影响。对５万Ｎｍ＾３／ｄ煤气的反应器进行优化设计分析，为该工指导。     

循环流化床(CFB)煤/焦气化反应的研究 Ⅰ.操作气速、固体循环速率对循环流化床气化反应的影响

报道了山西西山焦煤飞灰，在小型循环流化床气化反应器上，以二氧化碳为气化介质，在不同操作条件下（气速、固体循环速率）的气化反应。研究结果表明，ＣＯ出口浓度及碳转化率随着ＣＦＢ操作气速减小、固体颗粒循环速率的增加而增加。即在ＣＦＢ床中，提高气体、固体停留时间（床内固体颗粒浓度）有利于ＣＦＢ气化的进行。ＣＯ浓度及碳转化率沿床高的变化趋势与床内颗粒浓度分布一致。     

强制液体外循环气升式环流反应器中内环气含率分布

在常规环流反应器基础上,将液体强制外循环并采用中心下料管和环管式气体分布器结构,该反应器主体(φ0.284 m×3.0 m)是有机玻璃制成的.采用空气-水气液两相体系以考察气体速度和外循环液体速度对内环气含率轴径向分布的影响.实验结果表明,内环局部气含率和轴向平均气含率均随表观气速和外循环液速的增大而增大;在不同的轴向位置,内环气含率的径向分布特性有所差异,其原因是由研究所采用的特殊反应器结构所致;内环轴向平均气含率先随轴向高度的升高而增大,在离开导流筒后略有降低.在此基础上采用商业软件ANSYS CFX10.0对该反应器进行数值模拟.模拟结果表明,装置的非轴对称导致内环气含率呈非轴对称分布特性;截面平均气含率在分布器上方出现骤然增大,由于下料管液流的影响在其下方出现一个相对低点,这对实验研究起到了补充作用.因此,对于新型反应器的研发,可采用实验与模拟相结合的策略.     

循环流化床（CFB）煤／焦气化反应的研究：I.操作气速,固体循环速率 …

报道了山西西山焦煤飞灰，在小型循环流化床气化反应器，以二氧化碳为气化介质，在不同操作条件下（气速，固体循环速率）的气化反应，研究结果表明，ＣＯ出口浓度及碳转化率随着ＣＦＢ操作气速减小，固体颗粒循环速率的增加而增加，即在ＣＦＢ床中，提高气体，固体停留时间（床内固体颗粒浓度）有利于ＣＦＢ气化的进行，ＣＯ浓度及碳转化率沿床高的变化趋势与床内颗粒浓度分布一致。     

移动床热煤气脱硫气固反应过程模拟Ⅲ错流及逆、并流移动床反应器的比较

基于前文对错流移动床反应器的分析,进一步建立了逆、并流移动床非催化气固反应器模型方程,对不同操作条件下错流和逆、并流三类移动床反应器的行为进行了比较。结果表明,三类不同气固接触方式移动床的行为存在差异,其根本原因在于其内进行的非催化气固反应过程受固剂转化率的影响,当反应属本征动力学或内扩散控制时,错流、逆流移动床的床层利用效率较高,但反应属外扩散控制如在加压条件下操作或所要求的固剂转化率可降低时,三类移动床反应器床层利用效率趋于一致。     

城市煤气耐硫甲烷化反应器优化分析(英文)

建立了耐硫甲烷化列管式反应器的拟均相二维数学模型，运用隐式差分法求解，对日产五万立方煤气反应器的设备参数及操作参数的灵敏度进行了模拟分析。结果表明，管径对温度分布影响很大，气体入口温度及熔盐流量的影响不显著；气体入口压力及熔盐进口温度是反应器操作的灵敏因素。     

移动床热煤气脱硫气固反应过程模拟

基于前文对错流移动床反应器的分析，进一步建立了逆、并流移动床非催化气固反应器模型方程，对不同操作条件下错流和逆、并流三类移动床反应器的行为进行了比较。结果表明，三类不同气固接触方式移动床的行为存在差异，其根本原因在于其内进行的非催化气固反应过程受固剂转化率的影响，当反应属本征动力学或内扩散控制时，错流、逆流移动床的床层利用效率较高，但反应属外扩散控制如在加压条件下操作或所要求的固剂转化可降低时，三     

丙烯腈尾气协同脱除多段组合催化动力学研究及CFD模拟

本文通过筛选出几种适用于不同气体脱除的最佳催化剂及明确催化剂最优组合顺序,采用固定床微型反应器进行丙烯腈尾气催化燃烧试验考察,获得本征动力学数据,并对动力学数据的可靠性进行计算验证;采用CFD数值模拟软件建立多孔介质二维数学模型,在实际工业废气条件下,对废气组分催化燃烧反应进行模拟,分析操作参数对废气催化燃烧特性的影响.通过模拟获得丙烯腈尾气脱除的最佳操作条件(流速:30000 h~(-1),入口温度:623 K,组分摩尔比:10:1,催化剂床层孔隙率:～0.7);在该最佳操作条件下,对两段式催化反应器进行模拟,得到了压降和绝热温升等反应器参数.     

鼓泡浆态床费托合成（FTS）的模拟：数值分析

建立了浆态床反应器模型,该模型考虑了气相、液相的轴向分散及催化剂沿床层的非均匀分布。通过与Ｒｈｅｉｎｐｒｅｕｓｅｎ－Ｋｏｐｐｅｒｓ示范厂文献实验数据的对比,检验了模型的有效性。依据模型,计算分析了反应物、产物的浓度分布,气液两相的Ｈ２／ＣＯ变化及ＦＴＳ与ＷＧＳ对合成气转化的贡献。模拟结果给出了浆态床为何能够利用贫氢合成气的合理解释     

甲烷部分氧化制合成气的钙钛矿型致密透氧膜反应器的数值模拟(英文)

采用等温理论模型,以甲烷催化氧化制合成气为模型反应,模拟非担载钙钛矿型致密透氧膜反应器的性能。分别研究了Ｌａ_０．２Ｂａ_０．８Ｆｅ_０．８Ｃｏ_０．２Ｏ_(３－δ)、Ｌ３０．２Ｓｒ０．８Ｆｅ０．８Ｃｏ０．２Ｏ３－δ和ＳｒＦｅＣｏ０．５Ｏｘ三种透氧速率不同的膜材料、膜反应器的尺寸以及反应工艺条件对ＣＨ４转化率、ＣＯ选择性和Ｈ２／ＣＯ摩尔比的影响,对膜反应实验具有指导意义。     

外循环式耐硫甲烷化反应器分析

建立了耐硫甲烷化循环式反应器的拟均相一维模型，考察了床层直径，循环比，入口气体温度及压力和温度范围对反应器操作的影响，结果表明：循环比和温度操作范围是反应器操作的决定因素，对日产５万标准立方煤气的反应器进行了优化设计分析。     

Simulation and model design of pipe-shell reactor for the direct synthesis of dimethyl ether from syngas

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.     

C302铜基甲醇合成催化剂颗粒设计Ⅱ. 颗粒结构对Lurgi型合成反应器性能的影响

基于本文（I）报的研究结果，以固定床反应器二维非均相数学模型为基础，模拟考察了C302铜基甲醇合成催化剂颗粒设计对Lurgi型合成反应器性能的影响。结果表明，由于颗粒结构设计改变了粒内反应－扩散耦合行为的相互匹配关系，使得催化剂的宏观反应活性发生变化，进而对反应器的操作性能产生显著的影响（包括反应器生产能力、温度和浓度分布特性、床层压力降和热点温度等），为提高反应器的生产能力和改善反应器的操作性能，进行催化剂颗粒的适宜结构设计是非常必要和有价值的。     

Investigation of coupling dehydrogenation and hydrogenation reactions in a fixed bed catalytic reactor with well-mixed catalyst pattern

The enhancement of ethylbenzene conversion by further displacement of the thermodynamic equilibrium via the influence of the dual-functionality of a well-mixed catalyst pattern has been investigated. A rigorous steady state mathematical model based on the dusty gas model is implemented for the simulation. The simulation results reveal that the introduction of the concept of the reaction coupling has significant effect on the displacement of the thermodynamic equilibrium and considerable enhancement of simultaneous production of styrene and cyclohexane. Almost 100% conversion of the ethylbenzene and benzene is achieved through the application of this approach. It is also found that considerable decrease in the reactor length is achieved by employing a reactor catalyst bed with different bed compositions. Effective operating regions with optimal conditions are observed. An effective reactor length criterion is used to evaluate the performance of the reactor under these optimal conditions. The effective reactor length is found to be sensitive and favored by high feed temperature and pressure. The sensitivity analysis shows that the key parameters of feed temperature, pressure, and the bed composition play an important role on the reactor performance. The results also show that almost 100% conversion of ethylbenzene and benzene at low temperature and shorter reactor length can be achieved by maintaining the reactor beds at different temperatures. This temperature switching policy may result in appreciable energy saving. Moreover, operating the reactor at low temperature protect the catalyst from the excessive temperatures which have destructive effects on the catalysts and the mechanical stability of the reactors. Also, the low temperature operation has significant contribution to the reduction of the operating cost.     

A batch membrane reactor for laboratory studies

A membrane reactor consisting of two recirculating flow systems connected via a membrane module has been constructed and used to study the dehydrogenation of cyclohexane. When the reactor is operated differentially it is possible to obtain the same information that is generated when using more conventional steady flow reactors. The batch system has the advantages of easily varying the ratio of membrane area to reactor volume and sampling a very wide range of effective Damköhler numbers. These are important variables in design studies. This ability has been demonstrated for the dehydrogenation of cyclohexane. The batch system reproduced results from studies using a more conventional flow reactor. In addition, with the batch reactor it was possible to experimentally confirm predictions that were based upon computer simulation but which were outside the range of experimental study for the conventional reactors used.     

Dynamic modeling of a H2O-permselective membrane reactor to enhance methanol synthesis from syngas considering catalyst deactivation

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.     

Modelling of enzymatic reaction in an internal loop airlift reactor

Gas-liquid reaction carried out in an internal loop airlift reactor was modelled and subjected to the scale-up procedure. Homogeneous oxidation of glucose to gluconic acid catalyzed by Gluzyme 10000 BG, a commercial product containing the enzymes glucose oxidase and catalase as active components, was chosen as the model system. The kinetic parameters were obtained using a 12-L airlift reactor considered as a CSTR. The behaviour of a large-scale internal loop airlift reactor was modelled dividing the reactor sections into a series of tank reactors. The reliability of the model was verified by comparing experimental measurements with the simulation results obtained employing 40-L and 200-L airlift reactors. The designed model could be suitable to predict the behaviour of large-scale internal loop airlift reactors. Presented at the 33rd International Conference of the Slovak Society of Chemical Engineering, Tatransk%e Matliare, 22–26 May 2006.     

Simulation study on the catalytic decomposition of hydrogen iodide in a membrane reactor with a silica membrane for the thermochemical water-splitting IS process

Catalytic decomposition of hydrogen iodide in a membrane reactor was investigated theoretically for the application to the hydrogen production step in the thermochemical iodine–sulfur (IS) process. Characteristics of the membrane reactor were evaluated using observed permeances of H₂ and HI in a homemade silica membrane that was prepared by chemical vapor deposition (CVD) method (selectivity of H₂/HI: 650). The effect of the H₂/I₂ selectivity on the performance of the membrane reactor was evaluated by simulation since I₂ permeance through the homemade silica membrane could not be determined so far because of the difficulty of the measurements. It was found from the simulation study that the conversion of over 0.9 would be attainable using the membrane reactor with the homemade silica membrane. Design criterion of the membrane reactor was discussed using the relationships between the ratio of reaction zone volume to the membrane surface area, the dimensionless reactor length and the conversion.     

Residence time distribution and heat/mass transfer performance of a millimeter scale butterfly-shaped reactor

A millimeter scale butterfly-shaped reactor was proposed based on sizing-up strategy and fabricated via femtosecond laser engraving. An improvement of mixing performance and residence time distribution was realized by means of contraction and expansion of the reaction channel. The liquid holdup was greatly increased through connection of multiple mixing units. Structure optimization of the reactor was carried out by computational fluid dynamics simulation, from which the effect of reactor internals on mixing and the influence of parallel branching structure on heat transfer were discussed. The UV–vis absorption spectroscopy was used to determine the residence time distribution in the reactor, and characteristic parameters such as skewness and dimensionless variance were obtained. Further, a chained stagnant flow model was proposed to precisely describe the trailing phenomenon caused by fluid stagnation and laminar flow in small scale reactors, which enables a better fit for the experimental results of the asymmetric residence time distribution. In addition, the heat transfer performance of the reactor was investigated, and the overall heat transfer coefficient was 110–600 W m^-2 K^-1 in the flow rate range of 10–40 mL/min.