催化精馏过程模拟稳态模型的研究进展

对催化精馏过程模拟的平衡级模型、非平衡级模型和非平衡池模型3个常用的稳态模型及其求解方法进行了综述,并简要分析了各模型和求解方法的优缺点,讨论了催化精馏过程模拟的稳态模型及其求解方法未来的发展方向。     

乳酸提纯新工艺动态建模仿真和控制系统设计

基于非平衡级和拟均相假设,建立了乳酸提纯反应精馏新工艺实验装置的动态机理模型.通过改进的数值计算方法提高了模型的求解效率,设计并实现了包含物性估算系统的模型仿真平台,以促进新工艺的工业化应用.利用仿真平台对新工艺装置进行了动态特性分析,在此基础上设计了两种单端质量控制方案:直接物料平衡和间接物料平衡方案.在不同类型和幅度的过程扰动下,分析比较了两种控制方案的调节性能.结果表明直接物料平衡方案控制品质优于间接物料平衡方案,可在不同扰动情况下满足过程的产品质量和转化率的联合控制要求.非平衡级动态机理模型能够反映反应精馏过程的动态特性,分析发现反应精馏过程有着独特的过程特性,基于机理模型的仿真平台是分析反应精馏特性的有效工具.     

稳态反应精馏过程的数学模型及算法研究进展

反应精馏将反应和分离操作耦合在相同塔中，近年来发展迅速，本文对稳态反应精馏过程模拟的平衡级模型、非平衡级模型和非平衡池模型及其求解算法进行了分析综述，为反应精馏过程的数学建模、模拟分析及优化设计提供了方法。     

反应精馏及其研究进展

反应精馏是化学反应和精馏分离耦合在一个设备中进行的操作。简述了反应精馏技术,介绍了稳态均相反应精馏过程模拟的平衡级模型、非平衡级模型、非平衡池模型、统计模型、微分模型以及相应的计算方法,并指出了今后的研究方向。     

基于SIMULINK系统的间歇萃取精馏动态模拟

间歇萃取精馏属于非理想性极强的非稳态过程,很难找到一种快捷有效且易于执行的求解方法.基于此,分别建立了全回流开工、加溶剂全同流及产品采出3个阶段的平衡级动态模型,编写S函数将该模型求解过程嵌套于SIMULINK模块中,并在此基础上开发了间歇萃取精馏的动态模拟平台.通过将不同解法与实验值进行对比,确定了该研究条件下动态模型的求解策略:ODE45解法适于求解全回流开工和加溶剂全回流动态模型;ODE 15s解法和ODE 23s解法适于求解产品采出动态模型,其中ODE 23s的计算过程相对更快捷.     

多元精馏过程的非平衡级动态模型

提出了-种通用的多元精馏过程非平衡级动态模型。模型中采用传质、传热速率方程表征实际塔板上的传递过程,避免了级效率的计算。通过引入“分离效率函数”提出一种简洁适用的仿真模型和求解算法,分析了速率模型与“平衡级一级效率”模型之间的内在联系。在两个工业精馏塔上进行了仿真计算和实验检验,结果表明,非平衡级动态模型能够准确预测实际塔板上的动态行为。     

单级氨吸收式制冷机精馏塔数值模拟与实验

搭建了一台单级氨吸收式制冷机试验装置,在设计工况下稳定运行的基础上进行了氨水精馏性能实验。对氨水精馏塔分别建立了平衡级和非平衡级模型,计算结果与实验结果比较表明:采用相界面热质传递过程速率方程建立的非平衡级模型能更准确地模拟实际工况,进料量一定的情况下,塔顶回流比对液氨浓度和制冷机热力系数影响较大。     

醋酸-水体系复杂精馏过程模拟与优化

醋酸的缔合效应使得醋酸 水体系的非理想性非常严重,文中考虑汽相的二聚缔合,液相用NRTL方程修正其非理想性,计算出的常压下汽液平衡数据与文献值比较吻合,并把所推导的热力学模型用于多股进料精馏模拟计算,确定了精馏过程的最佳回流比以及精馏塔内温度、质量分数分布,并讨论进料温度、质量分数等因素变化对精馏过程的影响,获得了对醋酸 水体系精馏过程实际生产具有指导意义的优化操作参数。     

基于Aspen仿真的乙醇水溶液精馏方案优化

为了实现对乙醇水溶液精馏方案进行优化设计,本文首先基于物料平衡、相平衡、物流各组分摩尔分率归一化以及热量平衡,针对整个填料塔精馏过程建立了稳态和动态模型,并利用数学模型对每部分精馏操作时的关键参数以及能耗进行了理论计算。为了检验数学模型和理论计算的合理性,同时鉴于Aspen Plus和Aspen Dynamics中已经建立了完善的精馏塔模型,本文以乙醇水溶液精馏方案为例,以达到浓度和回收率要求为约束条件,过程中最小能耗为目标函数,对回流比、馏出液流量、进料流量、进料温度、塔釜加热功率等几个输入变量分别进行了灵敏度分析,对理论计算的操作变量进行校正,确定出实际操作中的操作变量,优化乙醇水溶液精馏过程,从而得到最优的精馏操作序列。     

高速超临界二氧化碳干气密封实际效应影响分析

超临界二氧化碳介质物性的特殊性使得高速超临界二氧化碳干气密封中的多种实际效应突显,忽略这些实际效应可能会给干气密封稳态性能求解带来较大误差。以螺旋槽干气密封为研究对象,推导了考虑惯性项和实际流态的膜压控制方程,采用有限差分法求得膜压分布,对比分析了基于实际修正模型与经典简化模型的高速超临界二氧化碳干气密封气膜刚度和泄漏率,分析了不同介质压力和速度条件下实际气体效应、惯性效应和湍流效应对气膜刚度和泄漏率的影响规律,揭示了三种效应对稳态性能的单独影响及交互影响机理。结果表明：在本文给定条件下,经典简化模型在速度较小时求得的泄漏率偏小,而在超高速时求得的气膜刚度和泄漏率都偏小;在超高速条件下,实际气体效应使气膜刚度和泄漏率都显著增大,湍流效应使气膜刚度增大,而使泄漏率减小,惯性效应对气膜刚度和泄漏率影响很弱;实际气体效应与湍流效应对稳态性能影响之间具有很强的交互影响关系。     

START UP AND DYNAMIC PROCESSES SIMULATION OF A DISTILLATION COLUMN

A new dynamic non-equilibrium mixing-pool model for simulating start-up and dynamic re-sponse of a distillation column is reported.The proposed model is established on the basis ofconsidering the two dimensional flow/mixing behavior of actual trays in a distillation column.Com-parison is made among the computed results of the start-up time and the dynamic response time bythe proposed and five other typical models.It is found that the computed time for both dynamicprocesses is longer by the model which considers any flow/mixing pattern than by the model withoutsuch concern.The inertia effect of flow/mixing seems to be important and can not be ignored inmodeling the transient process of distillation.The proposed model,which is believed to be suitableto large column,seems somewhat useful in predicting industrial distillation dynamics.     

Dynamic rate-based and equilibrium models for a packed reactive distillation column

Dynamic rate-based and equilibrium models were developed for a packed reactive distillation column for the production of tert-amyl methyl ether (TAME). The two types of models, consisting of differential algebraic equations, were implemented in gPROMS and dynamic simulations were carried out to study the dynamic behaviour of reactive distillation of the TAME system. The dynamic responses predicted by the two types of models are similar in general, with some differences in steady-state values. The influence of manipulated variables, such as distillate flow rate, reflux ratio, and reboiler duty, on the dynamic responses of the controlled variables (reactant conversion and product purity) was studied. The dynamic response of reactant conversion is very nonlinear and unconventional, but the response of product purity is well approximated by a linear first-order differential equation. The CPU time required to complete a dynamic simulation of the rate-based model is at least an order of magnitude higher than that for the equilibrium model. Therefore, the dynamic rate-based model is much more complicated than the equilibrium model, and simplification of the rate-based model is necessary for the implementation of model-based control. A new approach was proposed to simplify the dynamic rate-based model by assuming that the mass transfer coefficients are time invariant. This approach was demonstrated to be superior to the conventional simplification methods. It can reduce the number of equations by up to two-thirds and still accurately predicts the dynamic behaviour.     

Impact of mass transfer coefficient correlations on prediction of reactive distillation column behaviour

A significant part of the safety analysis of a reactive distillation column is the identification of multiple steady states and their stability. A reliable prediction of multiple steady states in a reactive distillation column is influenced by the selection of an adequate mathematical model.For modelling reactive distillation columns, equilibrium (EQ) and nonequilibrium (NEQ) models are available in the literature. The accuracy of the nonequilibrium stage model seems to be limited mainly by the accuracy of the correlations used to estimate the mass transfer coefficient and interfacial area.The binary mass transfer coefficients obtained from empirical correlations are functions of the tray design and layout, or of the packing type and size, as well as of the operational conditions and physical properties of the vapour and liquid mixtures.In this contribution, the nonequilibrium model was used for the simulation of a reactive distillation column. For prediction of the binary mass transfer coefficient for a sieve tray, four correlations were chosen to show their impact on the prediction of the reactive distillation column behaviour. As a model reactive distillation system, the synthesis of methyl tertiary-butyl ether (MTBE) was chosen. The steady-state analysis and the dynamic simulation of the model system were done. Qualitative differences between the steady states were predicted using the chosen correlations.     

一种改进的多元精馏塔动态模型

综合了精馏塔的物料及能量平衡、塔板水力学方程、塔板效率及再沸器动态特性,给出一种改进的非理想多元物系精馏塔通用动态数学模型.增加了汽液平衡计算,从而弥补了文献[1]所提出的动态模型的缺陷,提高了其精度和通用性.模型仿真算法采用Gear积分方法,稳定性好,对解刚性比很高的精馏塔微分方程组十分有效.通过对某丙烯腈萃取精馏塔的仿真表明,该动态模型能够较好地反映对象的动态形为.     

Reduced-order models for separation Columns—III: Application to columns with multiple feeds and sidestreams

Reduced order dynamic models for distillation columns are developed using the polynomial approximation method (or orthogonal collocation). The discontinuities in column profiles introduced by feeds and sidedraws are partially removed through suitable redefinition of variables, thus enabling the column profiles to be fitted with a single polynomial across the entire column. The strenghts and weakness of these reduced order models are explored by application studies in multicomponent distillation. These included a nonideal system of four components. The accuracy and efficiency of the reduced models are also compared with simulation results obtained using a dynamic model developed at Monsanto Company.     

苯氯化侧反应精馏过程的系统设计与控制(英文)

The distillation column with side reactors (SRC) can overcome the temperature/pressure mismatch in the traditional reactive distillation, the column operates at temperature/pressure favorable for vapor-liquid separation, while the reactors operate at temperatures/pressures favorable for reaction kinetics. According to the smooth operation and automatic control problem of the distillation column with side reactors (SRC), the design, simulation calculation and dynamic control of the SCR process for chlorobenzene production are discussed in the paper. Firstly, the mechanism models, the integrated structure optimal design and process simulation systems are established, respectively. And then multivariable control schemes are designed, the controllability of SRC process based on the optimal steady-state integrated structure is explored. The dynamic response performances of closed-loop system against several disturbances are discussed to verify the effectiveness of control schemes for the SRC process. The simulating results show that the control structure using conventional control strategies can effectively overcome feeding disturbances in a specific range.     

A comparison of the equilibrium and nonequilibrium models for a multicomponent reactive distillation column

Apropriate models and computational algorithms were developed and a series of simulations for a reactive distillation tray column were performed in order to compare the equilibrium and nonequilibrium model. The homogeneous liquid phase reversible reaction between acetic acid and ethanol in production of ethyl acetate was employed as a test chemical reaction. Both the Newton–Raphson and homotopy-continuation methods were applied to solve the set of model equations. The homotopy-continuation method was found superior to the Newton–Raphson method in guaranteeing the desired solution for the nonequilibrium model. The comparison between the equilibrium and the nonequilibrium model reveals that the nonequilibrium model is to be preferred for the simulation of a tray column for reactive distillation because of the difficulty in the accurate prediction of tray efficiency for the equilibrium model. Close agreement in the prediction of the two models arises only when the tray efficiency can be correctly guessed for the equilibrium model. The effects of reaction rate and reflux ratio on the column performance were illustrated using the nonequilibrium model. The use of the heat generated by the exothermic reaction as an internal heat source in the column is discussed.     

Some aspects of rate-based modelling and simulation of three-phase distillation columns

The application of the bate-based approach to the dynamic and stationary modelling of three-phase distillation columns is presented. The main problem can be seen in finding adequate models for the mass and heat transfer over phase interfaces to be utilised in the Maxwell-Stefan equations. While for the vapour–(continuous) liquid interface, there are a number of methods and data available, the interface between continuous and dispersed liquid phases has not been studied for the case of distillation processes. A reasonable alternative approach to modelling of a three-phase distillation column can be found where the liquid–liquid interface is treated as equilibrium. The adequacy of this modification is supported by phenomena observed on distillation trays, e.g. strong agitation of liquid phases. The resulting combined non-equilibrium and equilibrium model is compared to the classical equilibrium model and also to experimental data for ethanol–water–cyclohexane separation in a number of examples.     

Nonsmooth model for dynamic simulation of phase changes

Dynamic modeling of processes involving phase changes can be challenging due to changes in the model equations caused by appearance and disappearance of equilibrium phases. Dynamic simulation of these processes requires the ability to detect the change in the number of phases and adapt the model to the new phase regime on the fly. In this work, an easy‐to‐use nonsmooth model for dynamic simulation of processes with vapor‐liquid equilibrium is presented. The presented model does not introduce any auxiliary variables or equations, nor does it require solution of an optimization problem to determine the new phase regime during the dynamic simulation. It can therefore be used for comprehensive simulation of, e.g., distillation columns, where the number of phases present can change during startup and shutdown. The nonsmooth model is illustrated through examples of an evaporator and a distillation column. © 2016 American Institute of Chemical Engineers AIChE J, 62: 3334–3351, 2016