甲醇合成反应器催化剂使用周期与样品分析数据的关联性分析

在不同的操作条件下,甲醇合成反应器铜基催化剂的使用寿命有很大变化,催化剂自身的状况对分析数据也有很大的影响.本文对甲醇合成反应器催化剂的使用周期进行了统计,找到了催化剂工况与分析数据之间的关系.随着催化剂的性能下降,主反应的进行程度较浅,造成甲醇合成反应器循环气中的CO含量逐渐增大,同时催化剂性能的下降导致副反应增多,...     

环氧乙烷非均相催化水合动力学及均温反应器热稳定性分析

采用碳纳米管增强复合材料催化剂,在等温积分反应器中获得环氧乙烷非均相催化水合宏观反应动力学实验数据,建立了幂函数型宏观反应动力学方程,采用Levenberg-Marquardt法对动力学模型参数进行估算,并以该动力学模型为基础,分析了均温反应器的热稳定性。结果表明,生成乙二醇主反应的表观活化能为71.7 k J/mol,与两个典型的串联副反应的活化能接近。模型参数统计检验结果表明,该宏观动力学方程参数是适定的,可用于工业反应器的设计。给出的反应器关键参数的计算方法,可为乙二醇合成反应器的模拟计算和设计开发提供必要的依据。     

非等温固定床反应器设计及操作方案的选择

本文对正丁烷氧化制顺酐固定床反应器的参数敏感性进行了模拟分析。确定了万吨级生产装置适宜的设计及操作参数,并对反应器上段催化剂稀释与不稀释,以及双段熔盐循环的方案进行了比较。结果表明以双段熔盐循环系统效果最好。     

乙炔前加氢催化剂活性分析方法研究

乙炔加氢催化剂活性对反应器入口CO浓度变化非常敏感,量化CO浓度对催化剂活性的影响程度并预测催化剂活性与反应器入口温度的对应关系十分必要。通过反余切三角函数建立催化剂活性随CO浓度变化的模型,定量描述CO浓度对催化剂活性的影响,并结合反应器入口温度、入口原料气总质量、入口与出口各物质的含量等实际生产数据,优化动力学参数和失活模型参数,定性和定量描述催化剂活性变化后反应器入口温度的调整方法,利用此模型结合相关数据考察反应器入口温度对催化剂活性的影响。     

连续反应釜中γ-十一内酯合成宏观动力学研究

研究了γ-十一内酯合成过程中包含可逆的主反应和丙烯酸聚合副反应的宏观动力学,为提高反应选择性提供了动力学依据。实验在连续操作的釜式反应器中进行,考察不同温度、不同进料流量条件下反应速率,利用实验数据对模型进行参数拟合,得到主反应和副反应动力学参数,经统计检验和残差分析表明,所建立的动力学模型可靠,可用于宏观描述该反应。研究结果证明:提高反应温度,降低丙烯酸浓度有利于提高主反应选择性、提高γ-十一内酯收率。     

煤气化费托合成/电联产系统建模及热力学分析

建立包括分布参数F-T合成反应器模型、考虑燃料气热值的燃气轮机模型及其他能够体现内部关键参数耦合关系的系统级单元子模型,并用于研究集成联产系统的整体热力学性能.首先,对合成气H2/CO、表观气速对F-T合成反应器合成气转化率和F-T合成尾气组成影响分析,结果表明F-T合成尾气存在CO/H2提高、CO2增浓的特点.综合考...     

CFB提升管等效反应器网络模型

对气固循环流化床（CFB）提升管内的非均相流动行为进行了计算流体力学（CFD）模拟。基于CFD时均流场数据与信息,搭建了用于描述提升管内非理想流动过程的等效反应器网络（ERN）模型。在ERN模型建立过程中提出了反应器网络的6个拓扑结构参数和一个等效判据,并系统地分析了等效反应器网络结构六参数的性质与确定方法,从而形成了一套CFB提升管流动模型建模方法。     

CFB提升管等效反应器网络模型

对气固循环流化床(CFB)提升管内的非均相流动行为进行了计算流体力学(CFD)模拟。基于CFD时均流场数据与信息,搭建了用于描述提升管内非理想流动过程的等效反应器网络(ERN)模型。在ERN模型建立过程中提出了反应器网络的6个拓扑结构参数和一个等效判据,并系统地分析了等效反应器网络结构六参数的性质与确定方法,从而形成了一套CFB提升管流动模型建模方法。     

基于混合建模的变换反应器产品预测与优化

石化行业智能化建设是“中国制造2025”的重要内容,加强信息物理系统（CPS）建设是实现石化行业智能化的重要保障。本文基于某炼化企业CPS建设需要,以变换装置建模为重点,采用混合建模方法进行模型的研发。通过Aspen plus模拟生产流程并进行灵敏度分析,模拟产生系列运行数据;利用混合建模方法对训练组数据进行挖掘,估算了反应器R2204的动力学参数,建立了混合模型,并采用预测组数据进行验证。结果表明,通过该方法所得模型在预测反应器出口最关键组分CO组成时相对偏差较小（25组数据平均偏差为2.78%,最大一组数据偏差不超过10%）,证明模型可靠;基于此模型,对反应器进口流股S2220的温度和H₂O/CO摩尔比值进行了模拟优化,结果表明进料温度为201℃、H₂O/CO摩尔比值为51.35时,反应器出口CO的干基物质的量分数最小为0.406%,满足技术生产指标。本文采用混合建模方法建立的模型不仅可以准确地预测反应器的产品CO组成,还可以集成到工厂CPS系统中,为后续的决策优化提供依据。     

CO催化偶联制草酸二乙酯催化剂的宏观反应动力学

采用固定床积分反应器,研究了自制的负载型钯系催化剂上CO气相催化偶联主、副反应的宏观动力学模型.所采用的催化剂是经过模式1000 h连续运转、性能稳定的φ1.5 mm×（3～5）mm圆柱状催化剂.在适宜的反应条件下测定了动力学实验数据,并采用一维拟均相模型建立了微分方程组.使用了幂函数宏观动力学模型,采用Runge-Kutta法解微分方程组,并用单纯形法确定动力学模型参数,同时进行了残差分析和统计检验.结果表明,所得的动力学模型与实验数据吻合良好,可以为草酸二乙酯合成反应器设计和放大提供依据.     

Analysis of a fluidized bed membrane reactor for butane partial oxidation to maleic anhydride: 2D modelling

The partial oxidation of butane to maleic anhydride in a membrane reactor with improved heat transfer through the wall has been studied in this work. The reactor consisted of a catalytic fixed bed with sintered metal membrane wall that allows the gradual feed of air from the external fluidized bed. The influence of the most important design and operation variables (reactor length, gas flow rate, inlet temperature, butane inlet concentration, and air gas flow rate) on butane conversion and maleic anhydride selectivity has been studied by means of computer simulations using an experimentally-validated detailed 2D model. The performance of this reactor was systematically compared to the corresponding conventional fixed bed reactor. The membrane reactor has been found to provide slightly higher selectivity than the fixed bed reactor. Moreover, in the membrane reactor, the mixing of butane and air takes place through the wall directly inside the catalytic bed. Since solid beds avoid flame propagation, the process can be operated with higher butane inlet concentrations under safety conditions. Hence, the fluidized bed membrane reactor represents an interesting alternative for industrial-scale operation.     

基于ReliefF的主元挑选算法在过程监控中的应用

传统的主成分分析（principal component analysis,PCA（算法选取包含大部分方差信息的成分作为主元,并将其应用到过程监控中。但是故障信息不一定会投影到方差较大的成分上,使用方差贡献度挑选主元会导致严重的信息丢失和监控效果的恶化。因此使用ReliefF-PCA算法,其中ReliefF算法从故障角度出发,挑选出在区分正常样本和故障样本上权重更高,效果相对更好的成分作为主元。这样挑选出的主元避免了传统PCA算法在主元挑选过程中出现的主观性、盲目性以及重要信息的丢失。ReliefF-PCA算法在过程监控中主要有两个优势,第1,监控效果更好;第2,对原始数据降维效果更好。随后,基于ReliefF-PCA算法,提出一种加权的故障变量贡献图方法。最后,通过Tennessee Eastman（TE（仿真实验测试,ReliefF-PCA算法达到了预期效果。     

Reactor sizing for butane steam reforming over Ni and Ru catalysts

We obtained kinetics data on steam reforming of butane and calculated the appropriate reactor size based on the kinetics data. Using commercial Ni and Ru catalysts, steam reforming reactions of butane were performed while changing the reaction temperature and partial pressure of reactants. After comparing the power law model and the Langmuir-Hinshelwood model by using the kinetics data obtained from the experiment, it is revealed that the reaction rate could be determined by both models in the reforming reaction of butane over commercial Ni and Ru catalysts. Also, calculation of the steam reforming reactor size using a PRO/II simulation with a kinetic model equation showed that the reactor size using the Ni catalyst is smaller than that with the Ru catalyst to obtain the same conversion.     

Analysis of activated sludge process using multivariate statistical tools—a PCA approach

Twelve original physical variables of an activated sludge wastewater treatment system are considered. These cross-correlated variables are transformed in new ones that are not correlated by the use of PCA (principal component analysis), a powerful tool for analysis, monitoring and diagnostics of wastewater treatment processes. Just three principal components explain most of the system total variability (78% of total variance). Thus, the ability to describe the overall characteristics of the process using only three principal components will make the analysis, monitoring and diagnostic of the system easier.

Three groups of variables characterizing the system are detected. The first group identifies variables that represent micro-organisms and inert particulate matter arising from cellular decay, while the second group refers to substrates and flow rate. The third group is related to the pH. Based on these results, the present paper shows how to enlarge the ways of interpreting the characteristics of activated sludge wastewater treatment system.     

Membrane pilot reactor applied to selective oxidation reactions

The partial oxidation of butane to maleic anhydride was studied in a conventional fixed bed as well as a novel reactor configuration consisting of a porous metallic membrane immersed in a gas–solid fluid bed. The diameter of both reactors was at a commercial scale greater than 30 mm. A range of gas flow rates, temperatures and butane concentrations were tested. Maleic anhydride yield was generally higher in the membrane reactor due to higher butane conversion. Maleic productivity in the fixed bed equalled that observed in the membrane reactor when the gas–solid fluid bed was maintained at a higher temperature of as much as 30 °C. The butane feed rate to the membrane reactor was limited by hot spots. These hot spots were unanticipated and underscore the importance of increasing heat transfer in order to commercialize this technology.     

基于主元分析和核密度估计的多变量统计过程监控及在工厂聚丙烯催化剂反应器的应用

Abstract Data-driven tools, such as principal component analysis （PCA） and independent component analysis （ICA） have been applied to different benchmarks as process monitoring methods. The difference between the two methods is that the components of PCA are still dependent while ICA has no orthogonality constraint and its latentvariables are independent. Process monitoring with PCA often supposes that process data or principal components is Gaussian distribution. However, this kind of constraint cannot be satisfied by several practical processes. To ex-tend the use of PCA, a nonparametric method is added to PCA to overcome the difficulty, and kernel density estimation （KDE） is rather a good choice. Though ICA is based on non-Gaussian distribution intormation, .KDE can help in the close monitoring of the data. Methods, such as PCA, ICA, PCA.with .KDE（KPCA）, and ICA with KDE,（KICA）, are demonstrated and. compared by applying them to a practical industnal Spheripol craft polypropylene catalyzer reactor instead of a laboratory emulator.     

新型惰性膜反应器中丁烷氧化脱氢制丁二烯和丁烯

The oxidative dehydrogenation of butane to butadiene and butene was studied using a conventional fixed-bed ractor (FBR), inert membrane reactor (IMR) and mixed inert membrane reactor (MIMR). When IMR and MIMR were employed, a ceramic membrane modified by partially coating with glaze was used to distribute oxygen to a fixed-bed of 24-V-Mg-O catalyst. The oxygen partial pressure in the catalyst bed could be decreased. The effect of feeding modes and operation conditions were investigated. The selectivity of C4 dehydrogenation products (bntene and bntadiene) was found to be higher in IMR than in FBR. The feeding mode with 20% of air mixing with butane in MIMR was found to be more efficient than the feeding mode with all air permeating through ceramic membrane. The MIMR gave the most smooth temperature profile along the bed.     

粉煤气化条件下不同粒径半焦的表征与气化动力学

利用可模拟真实粉煤气化条件的平流火焰反应器制取了同一煤种的2种不同平均粒径的半焦,并对其进行了物理表征和气化反应动力学研究. 其物理表征显示,小颗粒半焦的平均比表面积远小于大颗粒半焦. 半焦的CO2气化实验表明,含很多小孔的大颗粒半焦的气化反应受内扩散影响显著,比表面积较小的小颗粒半焦具有更高的气化反应速率. 利用随机孔模型导出了反应速率Ri. 根据小颗粒半焦在不同温度下平衡态时的反应速率Ri,s值获得半焦气化的本征气化反应速率表达式为Ri=1.243′103exp(-19243.5/T) g/(m2×min).     

丁烷催化裂解规律研究

在小型固定流化床实验装置上,对丁烷在4种不同催化裂解催化剂上进行了考察,表明在催化剂D上乙烯、丙烯收率最高。通过考察正、异丁烷分别作为原料的催化裂解情况,表明正、异丁烷在相同的工艺条件下裂解,其转化能力相当。通过考察混合丁烷在不同反应温度条件下的转化情况,表明乙烯收率随反应温度的升高而升高,丙烯收率存在最优的反应温度。