摘要：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.

摘要：A three-phase reactor mathematical model was set up to simulate and design a three-phase bubble column reactor for direct synthesis of dimethyl ether （DME） from syngas, considering both the influence of part inert carrier backmixing on transfer and the influence of catalyst grain sedimentation on reaction. On the basis of this model, the influences of the size and reaction conditions of a 100000 t/a DME reactor on capacity were investigated. The optimized size of the 10000 t/a DME synthesis reactor was proposed as follows： diameter 3.2 m, height 20 m, built-in 400 tube heat exchanger （Ф 38×2 mm）, and inert heat carrier paraffin oil 68 t and catalyst 34.46 t. Reaction temperature and pressure were important factors influencing the reaction conversion for different size reactors. Under the condition of uniform catalyst concentration distribution, higher pressure and temperature were proposed to achieve a higher production capacity of DME. The best ratio of fresh syngas for DME synthesis was 2.04.

摘要：径向流动反应器具有流道短、阻力小、可使用小颗粒催化剂、空速大等优点 ,已在石油与化学工业中推广应用。讨论了径向流动反应器工艺设计中的几个关键问题 :①两种流体流动型式 (Π型与Ζ型 )的选择原则 ;②为防止流体短路而设置“催化剂封” ;③防止催化剂细粒吹入分流与集流流道的措施 ;④移走反应热效应的方法 ;⑤流体均布的设计 ;⑥径向流动反应器的工艺设计模型。

摘要：针对乙烯氧化制环氧乙烷反应体系,对外齿轮异形催化剂建立三维反应-传质-传热模型。有效扩散系数和有效热导率均为待求解浓度场和温度场的函数,使得偏微分方程组模型为强非线性。采用有限元算法求解,并对模型有效性进行验证,定量研究了催化剂几何比外表面积和内扩散效率因子的关系。计算结果表明,几何比外表面积为1862 m2·m-3的外齿轮催化剂内扩散效率因子为0.1804,而几何比外表面积为924 m2·m-3的圆柱形催化剂内扩散效率因子为0.0993。对单个催化剂颗粒反应-传递现象的研究能定量指导催化剂设计,并为耦合反应器流体力学和催化剂反应传递现象多尺度模拟计算奠定基础。

摘要：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, *** 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.

摘要：本文以文献发表的高压下含甲醇混合气体中甲醇饱和含量数据为依据,将其回归成计算公式。并采用国内两套甲醇装置的生产数据对该计算公式进行检验。其计算值与实测值的相对误差均在允许范围以内。该回归计算式可供工程设计时参考。

摘要：二甲醚精馏是甲醇制二甲醚工艺中的重要工段。本文应用PRO/II流程模拟软件,采用PR方程计算气相组分的逸度系数,利用NRTL法计算液相活度系数,实现了对二甲醚精馏过程的流程模拟。在操作压力为0.83 MPa下,考察了年产20万吨甲醇气相脱水制二甲醚工艺中二甲醚精馏塔进料温度、原料进料位置和回流比对二甲醚分离效果的影响。模拟结果和实际操作数据吻合良好,可用于指导生产装置的改造和设计。

摘要：针对苯酚加氢生产环己酮的管式固定床反应器,建立了一维拟均相数学模型,采用Runge-Kutta法求解数学模型;对苯酚加氢反应动力学模型中的各参数进行了计算拟合,通过Matlab软件计算了苯酚加氢反应器中的反应规律,并证明了所建立的一维拟均相数学模型的可靠性。考察了反应器的操作参数对苯酚加氢反应的影响,综合考虑各参数的影响,得到了较优的反应器操作条件:气体入口温度185℃、原料气进料量300 mol/s、操作压力0.2 MPa、原料气中氢气与苯酚的摩尔比6∶1、管外载热体温度180℃。在此条件下,苯酚的转化率为98.8%,目标产物环己酮的选择性达到91.7%,满足工业生产要求,为工业化反应器设计提供了理论依据。

摘要：离子液体被誉为“设计者溶剂”,有着独特的性质。从离子液体的发展、特性、合成及其在Friedel-Crafts烷基化反应中的应用对其进行了介绍。

摘要：在前文的基础上进一步分析了主要操作参数对甲醇合成过程的影响 .结果表明 ,温度对合成过程的影响较为复杂 ,它除了影响反应动力学外 ,还会对各组分在液相中的溶解度 ,特别是氢碳比产生影响 ,此外 ,温度的作用规律还与合成压力有关 .压力及质量空速对合成过程的作用遵循液相反应过程的一般规律 .文中还分析了浆态床反应器的设计要素 。