干气制乙苯反应器自适应在线操作指导的研究(英文)

In this paper, a third-generation dry gas-to-ethylbenzene process in a factory of PetroChina is considered. For the gradual catalyst deactivation in the alkylation reactor, a model is established with the parameters estimated from the reaction rate equation of alkylation based on the on-site data and those from laboratory analysis. The real-time dynamic simulation of the alkylation process is carried out, in which the module accuracy is ensured by using OPC (Object linking and embedding for Process Control) technique and adaptive correction of model parameters. Both the current and future operation temperature can be predicted.     

异步模拟移动床色谱的数值模拟

Asynchronous simulated moving bed chromatography (ASMBC), known also as the “VARICOL“ process, is more efficient and flexible than the well-known and traditional simulated moving bed chromatography (SMBC). A detailed model of ASMBC, taking account of non-linear competitive isotherms, mass transfer parameters, and complex port switching schedule parameters, was developed to simulate the complex dynamics of ASMBC.The simulated performance is in close agreement with the experimental data of chiral separation reported in the literature. The simulation results show that ASMBC can achieve the performance similar to SMBC with fewer columns and can achieve better performance than SMBC with the same total column number. All design and operation parameters can be chosen correctly by numerical simulation. This detailed ASMBC model and the numerical technique are useful for design, operation, optimization and scale-up of ASMBC.     

An Investigation of Error Sources in Computational Fluid Dynamics Modelling of a Co-current Spray Dryer

The paper is focused on identifying error sources in computational fluid dynamics(CFD) predictions of a spray drying process. Seven groups of drying and atomisation parameters were selected for analysis and 13 simulation trials were performed. The theoretical results were compared with experimental data and sensitivity of the simulation results to the analysed factors was determined. The following parameters affecting the accuracy of CFD spray modelling were found: gas turbulence model, particle dispersion, atomising air, initial parameters of atomisation and heat losses to the environment. A major difference in the errors committed during modelling of spray drying process for fine and coarse sprays was observed.     

计算流体力学在顺流喷雾干燥器模拟中的误差源研究

The paper is focused on identifying error sources in computational fluid dynamics(CFD) predictions of a spray drying process. Seven groups of drying and atomisation parameters were selected for analysis and 13 simulation trials were performed. The theoretical results were compared with experimental data and sensitivity of the simulation results to the analysed factors was determined. The following parameters affecting the accuracy of CFD spray modelling were found: gas turbulence model, particle dispersion, atomising air, initial parameters of atomisation and heat losses to the environment. A major difference in the errors committed during modelling of spray drying process for fine and coarse sprays was observed.     

甲苯液相催化氧化过程模拟与优化

Liquid-phase oxidation of toluene with air has become the main technology for producing benzoic acid in a reactor at present. Based on the kinetic model of the toluene oxidation process obtained from laboratory and mass balance of key component, a novel model is established to simulate the industrial toluene oxidation process, in which the effects of benzaldehyde and benzyl alcohol are considered and the kinetic parameters are revised by industrial data. The simulation results show that the error of benzoic acid yield is within 3.5%. Based on the simulation model, to maximize the benzoic acid yield, an optimization model is proposed to optimize the operating parameters, including toluene feed-in mass flux and temperature. The optimization result indicates that on the allowable operating conditions the maximum benzoic acid yield obtained with the reaction temperature at 167.2 C an the mass flux at 104.1 t·h^- 1 is greater than the current one, which can be used to guide industrial reactor s operation.     

应用群能量恒定粒子群优化算法的批次流加发酵过程批次间优化(英文)

An iterative optimization strategy for fed-batch fermentation process is presented by combining a run-to-run optimization with swarm energy conservation particle swarm optimization (SEC-PSO). SEC-PSO, which is designed with the concept of energy conservation, can solve the problem of premature convergence frequently appeared in standard PSO algorithm by partitioning its population into several sub-swarms according to the energy of the swarm and is used in the optimization strategy for parameter iden-tification and operation condition optimization. The run-to-run optimization exploits the repetitive nature of fed-batch processes in order to deal with the optimal problems of fed-batch fermentation process with inaccurate process model and unsteady process state. The kinetic model parameters, used in the operation condition optimization of the next run, are adjusted by calculating time-series data obtained from real fed-batch process in the run-to-run optimization. The simulation results show that the strategy can adjust its kinetic model dynamically and overcome the instability of fed-batch process effectively. Run-to-run strategy with SEC-PSO provides an effective method for optimization of fed-batch fermentation process.     

Effect of thermodynamic parameters on prediction of phase behavior and process design of extractive distillation

Extractive distillation was investigated for separation of the minimum azeotrope of n-propanol/water,via the Aspen Plus simulation platform.Experimental data of n-propanol/water,which could pass the thermodynamic consistency test,were regressed to get suitable binary interaction parameters (BIPs) by the UNIQUAC thermodynamic model.The azeotrope system was heterogeneous in the simulation with built-in BIPs,which was contrary to the experimental data.The study focused on the effect of thermodynamic parameters on the prediction of phase behavior,and process design of extractive distillation.N-methyl-2-pyrrolidone (NMP) and ethylene glycol were used as solvents to implement the separation.Processes with built-in and regressed BIPs were explored,based on the minimum total annual cost (TAC).There were significant differences in the phase behavior simulation using different thermodynamic parameters,which showed the importance of BIPs in the design and optimization of extractive distillation.     

用于生产TAEE的反应精馏和全蒸发的混合过程

In this study, a reactive distillation column in which chemical reaction and separation occur simultaneously is applied for the synthesis of tert-amyl ethyl ether （TAEE） from ethanol （EtOH） and tert-amyl alcohol （TAA）. Pervaporation, an efficient membrane separation technique, is integrated with the reactive distillation for enhancing the efficiency of TAEE production. A user-defined Fortran subroutine of a pervaporation unit is developed, allowing the design and simulation of the hybrid process of reactive distillation and pervaporation in Aspen Plus simulator. The performance of such a hybrid process is analyzed and the results indicate that the integration of the reactive distillation with the pervaporation increases the conversion of TAA and the purity of TAEE product, compared with the conventional reactive distillation.     

CO2-乙醇体系中界面对流的混合格子Boltzmann方法三维模拟及实验验证（英文）

By using a hybrid lattice-Boltzmann–finite-difference method (hybrid LBM–FDM method), three-dimensional simulations of solutal interfacial convection were conducted for the process of CO2 absorption into ethanol. A self-renewal interface model is adopted as an interfacial perturbation model. The simulation results revealed some three-dimensional features of the induced interfacial convection, such as the development of diverging cellular flow and Rayleigh plume-like convection in liquid phase. The concentration distribution of the simulation result is validated and found to be in wel agreement with the Schlieren visualization results qualitatively. Addi-tionally, the mass transfer enhancements by interfacial convection were investigated via both simulation and experiment for the absorption process, and the mass transfer is shown to be enhanced by the interfacial convec-tion by about two-fold comparing with that by diffusion.     

拟稳态模型用于间歇萃取精馏的数值模拟

Batch extractive distillation (BED) is a special method used in the distillation process by adding a solvent into the batch distillation column to alter the relative volatility of the components and improve the separation. A comprehensive design and simulation method is required due to the complexity of BED. In this study, a quasi-steady-state model for BED is proposed, the derivation and solution of the model are presented. This shortcut model can be used to simulate the composition and temperature of the reboiler, the top and other plates of the column in a batch extractive distillation operation. The calculated values are in good agreement with the experi-mental data. The results show that the quasi-steady-state model is a practical method because of some advantages such as high precision and fast calculation.     

合成气一步法制二甲醚的一种分离流程

针对合成气一步法制备二甲醚的工艺路线,在进行了二甲醚吸收和精馏的实验基础上,提出了用水吸收一步反应冷凝后气相产物中的二甲醚的分离工艺流程:反应冷凝液相与吸收后的液体混合后进入二甲醚精馏塔,二甲醚产品从精馏塔侧线引出,塔底甲醇和水去甲醇精馏塔。在实验数据的基础上,对二甲醚分离工艺流程进行了模拟计算。     

Simulation of DME synthesis from coal syngas by kinetics model

DME (Dimethyl Ether) has emerged as a clean alternative fuel for diesel. There are largely two methods for DME synthesis. A direct method of DME synthesis has been recently developed that has a more compact process than the indirect method. However, the direct method of DME synthesis has not yet been optimized at the face of its performance: yield and production rate of DME. In this study it is developed a simulation model through a kinetics model of the ASPEN plus simulator, performed to detect operating characteristics of DME direct synthesis. An overall DME synthesis process is referenced by experimental data of 3 ton/day (TPD) coal gasification pilot plant located at IAE in Korea. Supplying condition of DME synthesis model is equivalently set to 80 N/m³ of syngas which is derived from a coal gasification plant. In the simulation it is assumed that the overall DME synthesis process proceeds with steadystate, vapor-solid reaction with DME catalyst. The physical properties of reactants are governed by Soave-Redlich-Kwong (SRK) EOS in this model. A reaction model of DME synthesis is considered that is applied with the LHHW (Langmuir-Hinshelwood Hougen Watson) equation as an adsorption-desorption model on the surface of the DME catalyst. After adjusting the kinetics of the DME synthesis reaction among reactants with experimental data, the kinetics of the governing reactions inner DME reactor are modified and coupled with the entire DME synthesis reaction. For validating simulation results of the DME synthesis model, the obtained simulation results are compared with experimental results: conversion ratio, DME yield and DME production rate. Then, a sensitivity analysis is performed by effects of operating variables such as pressure, temperature of the reactor, void fraction of catalyst and H₂/CO ratio of supplied syngas with modified model. According to simulation results, optimum operating conditions of DME reactor are obtained in the range of 265–275 °C and 60 kg/cm². And DME production rate has a maximum value in the range of 1–1.5 of H₂/CO ratio in the syngas composition.     

二甲醚精馏塔实验研究与模拟计算

建立了用于二甲醚精制的精馏塔实验流程,实验测定了在操作工艺条件下的精馏结果。以平衡级理论为依据建立二甲醚精馏过程的数学模型,根据研究体系在通常情况下沸点相差较大、液相非理想性的特点,建立序贯收敛的循环嵌套迭代计算方法对模型进行求解,模拟计算结果与实验数据结果吻合较好。对二甲醚精馏塔的模拟分析结果表明：塔顶要得到含量不小于99 %(mol)二甲醚产品,维持操作压力1 MPa、在精馏塔中部进料的情况下,进料量不超过22 mol·h^-1为宜;回流比要根据进料液中二甲醚组分含量控制在一定范围内;进料液中二氧化碳含量高低对产品二甲醚纯度和收率影响显著,在进入精馏塔之前尽可能地将二氧化碳除去是必要的。     

Direct dimethyl ether synthesis by spatial patterned catalyst arrangement: A modeling and simulation study

The effect of spatially patterned catalyst beds was investigated using direct dimethyl ether (DME) synthesis from synthesis gas as an example. A layered arrangement of methanol synthesis (MS) and dehydration catalyst was chosen and studied by numerical simulation under typical operating conditions for single‐step DME synthesis. It was revealed that catalyst layers significantly influence the DME productivity. With an increasing number of layers from two to 40, an increase in DME productivity was observed approaching the performance of a physical catalyst mixture for an infinite number of layers. The results prove that a physical mixture of MS and dehydration catalyst achieves the highest DME productivity under operating conditions chosen in this study. Essentially, the layered catalyst arrangement is comparable to a cascade model of the two‐step process, which is less efficient in terms of DME yield than the single‐step process. However, the layered catalyst arrangement could be beneficial for other reaction systems. © 2012 American Institute of Chemical Engineers AIChE J, 00: 000–000, 2012     

合成气一步法制二甲醚吸收塔的模拟研究

利用Aspen Plus软件对合成气一步法生产二甲醚工艺中的二甲醚吸收塔进行了模拟计算。考察了在获得相同二甲醚吸收率下,不同吸收剂的用量、不同吸收剂对整个工艺能耗的影响。此外,还考察了气液比(G/L)、压力、温度、CO2相对含量等工艺参数对二甲醚吸收率的影响。结果表明,在达到相同二甲醚吸收率下,质量分数为64%左右的甲醇水溶液作为吸收剂时,吸收剂用量最少,甲醇作吸收剂时工艺能耗最少,并且吸收压力和温度对二甲醚吸收率的影响最明显。本实验条件下,吸收压力应在2.0MPa～3.0MPa、吸收温度应在20℃～40℃、G/L在70～100为宜。     

Modeling, simulation and control of dimethyl ether synthesis in an industrial fixed-bed reactor

Dimethyl ether (DME) as a clean fuel has attracted the interest of many researchers from both industrial communities and academia. The commercially proven process for large scale production of dimethyl ether consists of catalytic dehydration of methanol in an adiabatic fixed-bed reactor. In this study, the industrial reactor of DME synthesis with the accompanying feed preheater has been simulated and controlled in dynamic conditions. The proposed model, consisting of a set of algebraic and partial differential equations, is based on a heterogeneous one-dimensional unsteady state formulation. To verify the proposed model, the simulation results have been compared to available data from an industrial reactor at steady state conditions. A good agreement has been found between the simulation and plant data. A sensitivity analysis has been carried out to evaluate the influence of different possible disturbances on the process. Also, the controllability of the process has been investigated through dynamic simulation of the process under a conventional feedback PID controller. The responses of the system to disturbance and setpoint changes have shown that the control structure can maintain the process at the desired conditions with an appropriate dynamic behavior.     

Study on direct alcohol/ether fuel synthesis process in bubble column slurry reactor

The recent studies of direct alcohol/ether synthesis process in slurry reactors were reviewed, and the research work in our laboratory was carried out in this paper. a global kinetics model for direct dimethyl ether (DME) synthesis from syngas over a novel Cu-Zn-Al-Zr slurry catalyst was established according to the total of 25 experimental data, and a steady-state one-dimensional mathematical model was further developed in bubble column slurry reactor (BCSR), which was assumed that the bubble phase was plug flow, and the liquid phase was fully mixed flow. The numerical simulations of reactor design of 100000 t/a dimethyl ether pilot plant indicate that higher pressure and lower temperature were favorable to the increase of CO conversion, selectivity of dimethyl ether, product yield and height of slurry bed. The optimal operating conditions for DME synthesis process were obtained: reaction temperature at 240°C, reactor pressure at 5 MPa and reactor diameter of 2.5 m.     

DME DIRECT SYNTHESIS FROM SYNGAS IN A LARGE-SCALE THREE-PHASE SLURRY BUBBLE COLUMN REACTOR: TRANSIENT MODELING

In this research, a new transient mathematical model based upon tanks-in-series configuration was developed to simulate the direct synthesis of dimethyl ether (DME) from syngas in a commercial-scale slurry bubble column reactor. A comparison between the simulation results and experimental data showed that the applied model might acceptably describe the behavior of the slurry reactor. Furthermore, simulation results in the heterogeneous bubble flow regime indicated that the proposed model with 10 tanks-in-series provided the optimum condition. Utilizing this transient model and considering catalyst deactivation, the effect of operating conditions on DME productivity and CO conversion were investigated. In addition, the dynamic behavior of the reactor was studied after implementing a step change in the reactor's coolant fluid temperature.     

壳聚糖-聚乳酸接枝共聚物多孔支架制备

天然聚合物壳聚糖,生物可降解材料聚乳酸,都有着良好的生物相容性,在生物医学领域有着广泛的用途。但是,壳聚糖与聚乳酸各自的性能缺陷导致了这两者单独使用有着很大的局限性。为了改善这两者的缺点,可以利用将聚乳酸接枝共聚到壳聚糖主链上。这样既可以改善壳聚糖不易于加工的缺点,而壳聚糖本身碱性多糖的结构也可以中和乳酸降解过程中所产生的酸性。本文介绍了壳聚糖-聚乳酸接枝共聚体系的制备方法。     

二甲醚-甲醇体系二元交互参数的拟合与评价

本文通过化工模拟软件AspenPlus,液相采用NRTL模型,气相采用PR方程,对二甲醚-甲醇二元体系进行汽液平衡计算时涉及到的二元交互作用参数进行了研究。首先分别选用AspenPlus自带的三个数据库VLE—LIT、VLE—RK和VLE—HOC中二元交互参数进行计算,结果表明,选用数据库VLE—ILK和VLE—Hoc中模型参数时,计算值与实验值吻合较好,并且数据库vLE—RK的计算结果更好。其次利用文献实验数据拟合参数,进行气液平衡计算,与实验结果对比表明本文拟合参数最为适合,即对NRTL模型：a12=1．486,a21=-1．1496,b12=-28．06,b21=194．7,C12=0．0172;PR方程：k12=k21=-0．0605。