用正交配置法优化氯化烯合成固定床反应器操作

首先利用二维拟均相数学模型结合正交配置法对工业乙炔法生产氯乙烯的固定床反应器进行了模拟。然后在模拟的基础上对该反应器的操作状况进行了分析，指出了目前操作中所存在的问题。最后研究了操作参数对反应器热点温度和出口转化率的影响，得出了优化的操作条件。     

甲缩醛氧化制甲醛固定床反应器的数学模拟

依据甲缩醛氧化制甲醛的宏观动力学模型和固定床拟均相二维模型，采用正交配置法模拟固定床单管反应器，模拟结果与试验数据基本一致，表明该反应器数学模型具有一定的可靠性和实用性。用此模型进一步考察了主要操作条件，催化剂稀释比和床展稀释长度对甲醛收率和热点温度的影响，为该过程的工业放大和反应器设计提供了依据。     

乙炔法合成氯乙烯固定床反应器的数学模拟和工况分析

根据对乙炔，氯化氢在ＨｇＣｌ_２－活性碳催化剂上合成氯乙烯反应动力学、失活动力学及固定床反应器的分析，建立拟均相二维有效扩散模型以描述氯乙烯合成固定床反应器的特性，用此模型对现有生产中的工况进行定量分析，并提出改进操作的方案。     

异丁烯齐聚固定床反应器的模拟

利用高压微反实验装置，在排除了外扩散影响的基础上，利用集总的方法建立了异丁烯齐取反应集总动力学模型，并对该模型进行了求解，获得了该反应集总宏观动力学方程；对φ30mm的固定床反应器建立了一维拟均相模型，结合集总动力学方程对该反应器进行了模拟，实验结果与模拟结果吻合，证明动力学模型与反应器模型是可行的。     

乙炔法气相合成醋酸乙烯工业固定床反应器优化操作的研究

在该反应的宏观反应动力学研究的基础上，对新型Ｚｎ（ＡＣ）２－活性炭催化剂上合成醋酸乙烯的失活学进行了实验研究，对催化剂失活的原因进行了分析探讨。地实验数据进行计算机模拟的结果表明，在实验条件范围内催化剂的失活符合独立的失活的机理，即催化剂的的失活速率与反应物的浓度无关，只与反应的温度和时间，以及催化剂本身的活性高低有关。由此导出了有关的失活动力学方程，为工业固定床反应器的优化操作提供了有关的基础方     

氯乙烯合成转化器数学模型及优化操作指导系统的研究

以化工厂聚氯乙烯生产流程中转化器为背景，考虑了催化剂随时间和温度变化的失活机理，采用一维均相模型对氯乙烯合成转化器进行建模及仿真。结果证明，采用本文建立的数学模型对反应器的轴向温度及转化率模拟具有一定的准确性，对优化操作有一定的指导意义，具有工业实用价值。     

用正交配置技术估计固定床内的传热参数

用正交配置技术与非线性最小二乘估计固定床内的传热参数.用多通道巡回检测装置同时测定沿床层径向分布的40个正交配置点上的温度.系统地考察了床高、Re_p、d_t/d_p、气体入口温度、壁温对K_(er)和h_w的影响,并提出了以下的关联式k_(er)=0.199+0.015d_t/d_p+0.0020/1+14.15(d_p/d_t)~2Re_ph_w=33.4+4.23d_t/d_p+0.331/1+8.45(d_p/d_t)~2Re_p(5.5相似文献   

非恒温非绝热固定床反应器非均相模型及其求解

非恒温非绝热固定床反应器广泛应用于强放热的反应体系,由于传热、传质阻力的存在,使得流体中的温度、浓度和催化剂表面处不同,按拟均相二维模型求得的结果和实际情况存在较大的偏差。为此利用分层次的反应器建模思想,建立了非恒温非绝热固定床反应器的非均相二维模型,并用正交配置法对该模型进行了求解,示例给出了萘氧化成邻苯二甲酸酐的模拟结果。     

列管固定床反应器内CO氧化偶联制草酸二甲酯反应模拟及优化

针对列管式固定床反应器中的单根反应管,采用在接近工业条件下获得的CO氧化偶联制草酸二甲酯动力学方程,建立了一维、二维拟均相模型,并与单管实验结果进行了对比,结果表明一维拟均相反应器模型更能准确描述单管反应器内的CO偶联反应。进一步利用一维拟均相模型模拟计算了操作参数对床层热点温度、反应转化率、产物选择性及床层压降的影响,分析了反应器热点温度对操作参数的敏感性。计算结果表明：冷却介质温度对反应管热点温度、亚硝酸甲酯转化率有较大影响,是需要严格控制的工艺指标;较低的空速容易引起反应器飞温;反应器进口压力、原料气进料温度和反应物组成在计算范围内对反应器热点温度影响相对较小。为了提高偶联反应器的负荷和强化床层内的传热效果,可以将进料空速提高至4000 h^-1,同时,可以通过将反应器进口压力增大至500 kPa来降低压缩机能耗。研究结果可为现有列管式CO氧化偶联反应器的改进和工艺优化提供参考。     

乙炔法气相合成醋酸乙烯工业固定床反应器优化操作的研究

用非等温固定反应器，参照工业生产条件，对新型Ｚｎ（Ａｃ）２一活性炭催化剂上合成醋酸乙烯的宏观动力学进行了实验研究。对实验数据进行计算机模拟的结果表明，在实际条件范围内乙炔与醋酸在新鲜催化剂上的反应速率仅与乙炔的分压有关，并且假设该反应为１级反应时，实验数据的拟合精度能充分满足要求。由此导出了相应的宏观反应动力学方程，为进一步研究该反应的失活动力学和建立工业固定床反应器模型提供了有关的基础方程和数据     

A STUDY OF SPINLINE DYNAMICS USING ORTHOGONAL COLLOCATION

Previous work on slow flow of non-Newtonian fluids past particles assemblages has been reviewed. Using a combination of Happel's free surface model and variational principles, bounds on the drag have been obtained for the creeping flow of a Carreau Model fluid past an assemblage of rigid spheres. The bounds are related to friction factor for flow through fixed beds of spherical particles. Numerical results covering a wide range of model parameters and bed voidages are presented.

Theoretical predictions are validated by comparing with experimental results reported in the literature that involve viscoelastic fluids. Arithmetic averages of the two bounds compare well for 182 data points with an average error of 12%. It is demonstrated that the present analysis, though based on a purely viscous model, can predict creeping flow behaviour in rigid particles assemblage for both inelastic and viscoelastic fluids.     

COMPUTING POLARIZATION CURVES FOR THE ROTATING DISK ELECTRODE BY ORTHOGONAL COLLOCATION

Concentration and potential profiles in the mass-transfer boundary layer adjacent to a rotating disk electrode may be computed approximately by the method of orthogonal collocation. Because the method lends itself to the iterative solution of nonlinear problems, it can handle nonlinear electrode kinetics expressions in the boundary conditions as well as migration and homogeneous reaction terms in the transport equations. Calculation of the current density at various applied potentials generates theoretical polarization curves.

This paper outlines the formulation of the collocation method and presents sample results for the effect of migration on current in a ternary electrolyte, for concentration overpotential calculations, and for simulated polarization curves with multiple electrode reactions and with coupled homogeneous reactions. Although the treatment presented here is limited to the one-dimensional, steady-state model of the rotating disk, it can be generalized to solve multidimensional problems.     

COMPUTING POLARIZATION CURVES FOR THE ROTATING DISK ELECTRODE BY ORTHOGONAL COLLOCATION

Concentration and potential profiles in the mass-transfer boundary layer adjacent to a rotating disk electrode may be computed approximately by the method of orthogonal collocation. Because the method lends itself to the iterative solution of nonlinear problems, it can handle nonlinear electrode kinetics expressions in the boundary conditions as well as migration and homogeneous reaction terms in the transport equations. Calculation of the current density at various applied potentials generates theoretical polarization curves.

This paper outlines the formulation of the collocation method and presents sample results for the effect of migration on current in a ternary electrolyte, for concentration overpotential calculations, and for simulated polarization curves with multiple electrode reactions and with coupled homogeneous reactions. Although the treatment presented here is limited to the one-dimensional, steady-state model of the rotating disk, it can be generalized to solve multidimensional problems.     

苯氧化固定床反应器的振荡操作研究

在苯催化氧化固定床反应器中，以进料浓度的规则和不规则方波形式，进行浓度振荡操作研究。结果表明，反应器的浓度振荡可以提高顺酐的收率，且不规则方波振荡可以达到比规则方波振荡更佳的效果。同时在工业反应器上得到了验证。     

OPTIMAL DESIGN FOR THE RESIDUAL OIL HYDRODEMETALLATION IN A FIXED BED REACTOR

A restricted diffusion model was used to investigate the optimal design for the residual oil hydrodemetallation in a fixed bed reactor. Based on the total lifetime activity, the optimal catalyst pore sizes and their corresponding optimal division locations in the bed were determined. The results indicate that the total amount of demetallation could be significantly improved by using a multi-layers reactor and the nonuniform activity catalysts. In addition, the influence of the Thiele modulus on the optimal designs were illustrated.     

液相反应物起限制性作用的滴流床反应器模型评价

在实验滴流床反应器内用含２３％Ｃｕ，１７％Ｃｒ的氧化铝催化剂进行过氧化氢的等温分解，以测试不同操作条件下液相色反应物围化率空时的依赖关系。实验证实对氧化氢分解是一个液相反应物起限制性作用的１级反应，模型预测与实验数据的比较表明：除催化剂效率因子以外，必须考虑外部质量传递和催化剂不完全润湿的影响，Ｄｕｄｋｏｖｉｃ提出考虑催化剂总效率因子的近似模型完全能够模拟上述２种影响。     

STEADY STATE SIMULATION OF A PACKED BED REACTOR FOR THE PARTIAL OXIDATION OF METHANOL TO FORMALDEHYDE. INFLUENCE OF DIFFUSIONAL PHENOMENA AND CATALYST ACTIVITY DISTRIBUTION WITHIN THE PELLETS

The scope of this work is to present a real case in which reactor performance predicted theoretically, avoiding the numerical integration within the particle, is compared with experimental findings. The influence of realistic catalytic activity distributions are also studied since minimum extra efforts are needed with the procedure presented in this contribution. The partial oxidation of methanol in a tubular catalytic reactor, studied by Windes et al. (1989), giving rise to formaldehyde and carbon monoxide as main reaction products, was used as example for the application of our procedure. Both, inter and intraparticle, diffusional limitations were taken into account. Experimental data and theoretical predictions along the reactor were compared in terms of outlet conversion and temperature profiles showing a fairly good agreement which gives support to the procedure developed in this contribution to predict reactor performance. Furthermore, the effect of different realistic activity distribution function was simulated and its influence on the reactor performance is shown. The obtained results are discussed and some interesting conclusions are withdrawn.     

网格法求解三套管氨合成塔催化床径向浓度和温度分布

在柱坐标系中建立了描述三套管氨合成塔催化床径向浓度和温度分布的数学模型.采用网格法计算了管间催化床不规则截面的浓度分布和温度分布.计算方法快速、有效.     

丁烯氧化脱氢制丁二烯流化床反应器研究进展

基于 H—198催化剂丁烯空速为300～400h~(-1)的特性,我们开展了湍流流化床反应器及快速流化床反应器的基础研究和过程开发研究。研究证实,湍流流化床反应器或快速流化床反应器比鼓泡流化床反应器对于提高丁烯转化率,丁二烯收率具有更高的效果,为发展丁烯氧化脱氢制丁二烯开创了一条新的研究途径。