A note on an extended short-cut method for the design of multicomponent reactive distillation columns

Until now, few studies have proposed analytical short-cut methods for reliably designing multicomponent reactive distillation columns. Therefore, in this study we have improved and extended a design methodology for the design of RD columns of multicomponent systems. We have developed a graphical design method, based on distillation lines and tray-by-tray calculations defined in terms of reaction-invariant composition variables, to determine RD design parameters such as the number of theoretical stages, operating reflux ratio, the feed tray location and the top or bottom flow. In this note, we report our extended and improved method, which is analytical and useful for reliably determining the design parameters of multicomponent RD systems. We study the synthesis of TAME with inert components (with different feed thermal conditions) as case of study to show the effectiveness of the proposed strategy. Results obtained with our strategy show a significant agreement with those obtained using a rigorous model of commercial simulator AspenONE Aspen Plus^®.     

Short-cut methods for the optimal design of simple and complex distillation columns

New short-cut methods providing optimal design parameters for distillation columns with simple and complex configurations including two-feed and one-feed-one-side-stream columns are presented. The methods assume constant relative volatilities and constant molar flow rates within each distillation section. The design equations are based on the Underwood equations for the calculation of minimum reflux (reboil) ratio, the analytical formulations of the distillation line, the Eigenfunction and the number of theoretical stages for each mass transfer section of the column. Furthermore, the geometrical properties of a given separation are considered. Optimization algorithms based on the minimization of the total number of theoretical stages of the column with taking into account the mass balance at each feed section have been elaborated. In comparison to the boundary value method the new short-cut methods require a minimum number of specifications; they do not need any graphical support, and provide a lower total number of theoretical stages particularly for complex configurations. The new short-cut methods have been extended to the design of columns separating azeotropic mixtures by approximating the latter by appropriate pseudo-ideal mixtures. Several separation examples for azeotropic mixtures, including different types of splits as well as columns with simple and complex configurations were tested and show a very good agreement with the simulation results obtained with Radfrac (Aspenplus).     

A synthesis method for multicomponent distillation sequences with fewer columns

An easy‐to‐use matrix‐based method for the systematic synthesis of distillation configurations using less than n‐1 columns to separate any zeotropic n‐component feed into n product streams is described. The method is easily extended to obtain additional thermally coupled configurations. The only information needed to generate the configurations is the number of components in the feed, or equivalently, the number of distinct composition final product streams. We have successfully enumerated configurations for feeds containing up to eight components. This has resulted in a large number of hitherto unknown configurations even for four‐component separations. Some of the novel configurations generated using the method have substantially lower heat duty than the previously known fewer column configurations for a four‐component feed separation. Therefore, it is essential to include these novel configurations in the search space to find the optimal distillation configuration with fewer columns for a given application. © 2011 American Institute of Chemical Engineers AIChE J, 58: 2479–2494, 2012     

Analysis of packed distillation columns with a rate-based model

Multicomponent packed column distillation is simulated using a rate-based model and the simulation results are compared with the experimental results obtained from a 0.2 m diameter pilot-scale packed column. The simulation algorithm used is previously proposed by the authors, which based on an equation-tearing method for (6c+7) equations of one packing segment and the whole column is solved by an iterative segmentwise calculation with the overall normalized θ method for acceleration. The performance of two packings is examined by simulating the pilot-scale column experiments using the published correlations for estimating liquid and vapor phase mass transfer coefficients and an effective interfacial area.     

BATCH-DIST: A comprehensive package for simulation, design, optimization and optimal control of multicomponent, multifraction batch distillation columns

BATCH-DIST is a general-purpose simulation package for the design, simulation and optimization of multicomponent, multifraction batch distillation columns operating under different modes (constant reflux, variable reflux and optimal reflux policy). The package includes simulation models of varying degrees of complexity and rigor; efficient but simplified models (based on short-cut methods) for preliminary design and rapid analysis of column behavior, and rigorous models (based on solution of transient heat and mass balance differential equations) for verification and detailed column design. Besides simulation and design, BATCH-DIST can also accomplish optimization and optimal control of columns. Coded in Fortran 77, the package is flexible and user-friendly. BATCH-DIST has been extensively tested with benchmark cases involving binary and multicomponent systems, with nonideal behavior and in columns with appreciable holdup effects. Such test cases have clearly demonstrated that predictions of the simplified models in the package compare well with those of the rigorous models. This powerful and comprehensive package is expected to be computationally more efficient than existing packages.     

Synthesis of dividing-wall columns (DWC) for multicomponent distillations—A systematic approach

Dividing-wall columns (DWC) are intensified distillation systems for multicomponent separations. They have the potential to save significantly both energy and capital costs than conventional simple column configurations. In this paper, it is shown that the DWC columns can be systematically generated from the conventional simple column configurations. Because of the simple column sequences with sharp splits are the simple and widely studied conventional schemes for multicomponent distillation, the purpose of this work is to formulate a procedure for systematic synthesis of DWC columns for such simple conventional schemes. A four-step procedure is formulated which systematically generates all the possible DWC columns from the simple column sequences. First, the subspace of the original thermally coupled configurations corresponding to the simple column configurations is generated. Then, the subspace of the thermodynamically equivalent structures corresponding to the original thermally coupled configurations is produced. Finally, the subspace of the DWC columns corresponding to the thermodynamically equivalent structures is achieved. An example of quaternary distillation is used to illustrate the synthesis procedure which is applicable to a mixture with any number of components.     

Understanding the dynamic behaviour of middle-vessel continuous distillation columns

The fundamental dynamic behaviour of a middle-vessel continuous distillation column is studied in this paper. The interaction between the middle vessel (MV) design and control parameters is identified by means of a linear analysis. Transfer functions relating the dynamics of the product composition responses to changes in the disturbance inputs and manipulated inputs are derived. The role of the MV holdup and MV level controller gain in altering the product composition responses is identified. It is shown that the MV level controller gain can significantly affect the control performance when feed flow disturbances must be compensated for. However, it has a much lower impact in the control performance when feed composition disturbances need to be rejected; in this case, exploiting the “buffering” effect of the MV is more important for control. The analysis is carried out in detail for a LV control configuration, and is subsequently extended to an “on-demand” DB configuration. Finally, simple guidelines for the choice of the MV level controller gain and MV holdup are provided.     

Global optimization of multicomponent distillation configurations: 1. Need for a reliable global optimization algorithm

Nonazeotropic multicomponent mixtures are often separated into products by distillation configurations containing multiple distillation columns. One method of calculating the minimum vapor duty of a configuration is to sequentially calculate the minimum vapor duty of each mixture as it is split into two streams within a given column starting from the feed column. The other method simultaneously manipulates all the splits to yield the overall minimum vapor duty of the entire configuration. Of these two methods, the sequential minimization is attractive as it can be analytically solved. However, through extensive computations, we find that the sequential minimization method is not a valid substitute for the simultaneous minimization method. As the number of components in the feed increases, the fraction of the basic configurations for which sequential method yields a reasonable estimate decreases rapidly, thereby emphasizing the need for a more robust and reliable global optimization algorithm. © 2012 American Institute of Chemical Engineers AIChE J, 59: 971–981, 2013     

A matrix method for multicomponent distillation sequences

We describe a simple‐to‐use “matrix” method for obtaining all the basic distillation configurations and additional thermally coupled configurations that separate a zeotropic multicomponent feed into essentially pure product streams. This provides an opportunity to rank‐list the configurations for a given application subject to criteria of interest. The only information needed to generate the configurations is the number of components in the feed. We have successfully enumerated all the configurations for feeds containing up to eight components. The method can also be used to generate nondistillation and hybrid separation configurations, and even easy‐to‐retrofit configurations. We illustrate the use of this method by applying it to the highly energy‐intensive problem of petroleum crude distillation. We have identified more than 70 new configurations that could potentially have lower heat duty than the existing configuration. A significant number of these could reduce the heat demand by nearly 50%. © 2009 American Institute of Chemical Engineers AIChE J, 56: 1759–1775, 2010     

Designing four-product dividing wall columns for separation of a multicomponent aromatics mixture

Preliminary evaluations using a simple but reliable short-cut method indicated that a 15 component aromatics mixture can be separated very efficiently into four fractions according to the given product specifications employing either a single or a multiple partition wall dividing wall column (DWC). The obtained results have been used to initiate rigorous simulations, to determine the number of stages required in different sections, as well as to obtain internal flows of vapour and liquid necessary for dimensioning and adequate cost estimation for two design alternatives. Based on the comparison of total annualised costs it appears that a multi-partition wall configuration that maximizes energy efficiency is a more attractive option for implementation in aromatics processing plants than more practical single partition wall configuration.     

A boundary value design method for complex demethaniser distillation columns

Typically the number of design options for demethaniser flowsheets, that recover methane from a gas mixture, is large. Repetitive simulations, to evaluate the economic viability of alternatives, do not usually enable a thorough exploration of the variable space for the purposes of process synthesis. More comprehensive process optimisation is facilitated by shortcut design models and a suitable optimisation framework. These optimisation results, applying shortcut models, are useful at the initial design stage, when the range of flowsheet options and operating conditions to be explored is relatively wide.A demethaniser column has many degrees of freedom, including the operating pressure, the location and the order of feeds, the number and duty of side reboilers and the flow rate of the external reflux stream. The complexity of the demethaniser column precludes the use of the Fenske-Underwood-Gilliland shortcut design method. An appropriate design model for the demethaniser is presented for application within an optimisation framework for process synthesis and evaluation. The column design model is computationally relatively undemanding, yet accurate, so should allow evaluation of both energy demand and equipment requirements.The design model presented is a semi-rigorous boundary value method for the design of complex demethaniser columns separating multicomponent mixtures. The method has been implemented within MATLAB and linked to HYSYS for prediction of physical and thermodynamic properties. Industrially relevant examples demonstrate that the results of the proposed design methodology are in good agreement with those of rigorous simulation.     

Rapid and reliable tuning of dynamic distillation column models on experimental data

A systematic procedure is presented to assist the calibration of tray distillation column models over plant data. Practical suggestions are provided that contribute to reduce the time needed to check the closure of the experimental material and energy balances. Typical modeling inaccuracies that may have a strong impact in the model performance are highlighted. A set of "cold" and "hot" test runs is suggested to minimize the time that is needed to reliably tune the model in view of using it for control system design and testing. The procedure is discussed with reference to the experimental results obtained in a pilot-plant column.     

A comparative study of controlling the externally heat-integrated double distillation columns (EHIDDiC)

The externally heat-integrated double distillation columns (EHIDDiC) is a newly proposed scheme featuring complete heat integration between the rectifying section of a high pressure distillation column (HPDC) and the stripping section of a low pressure distillation column (LPDC). In terms of its structural characteristics, three decentralized control systems are devised, which avoid using the pressure difference between the HPDC and LPDC as a manipulated variable and ease consequently the interaction between the control loops involved. While the first one attempts to control the composition of the blended top products of the HPDC and LPDC, the second one the composition of their blended bottom products, thereby simplifying the control structure from 4 × 4 to 3 × 3 system. The third one focuses on the simplified EHIDDiC with only three heat exchangers between the HPDC and LPDC (S-EHIDDiC) and their heat duties are employed as a combined manipulated variable. These control systems are evaluated in terms of the separation of a binary mixture of benzene and toluene and it is found that they outperform exclusively the conventional control system with the pressure difference as a manipulated variable. Both the top-mixed and bottom-mixed control systems appear to be superior to the one for the S-EHIDDiC and conventional double-effect distillation column, implying the advantages of the simplified design of decentralized control systems. The obtained results are considered to be of general significance and can be used to guide the design and operation of the EHIDDiC (S-EHIDDiC).     

规整填料塔多元蒸馏过程混合型模型的模拟

填料塔精馏过程的模拟设计大多采用平衡级模型,但由于单一板效率值的难以确定,很多场合模拟很不成功;而新提出的非平衡级模型认为塔内传质传热均处于非平衡状态,由于方程数和经验性参数多,模型求解非常困难。文章针对规整填料的特点,建立了规整填料塔蒸馏过程的一种混合型模型,模型的主要特征是认为气液二相传质处于不平衡状态,而传热处于平衡状态。模型建立在实际填料基础上,既舍去传统的平衡级模型不确定性,又省略了非平衡级模型中复杂的经验性传热系数和液相传质系数的计算。模型计算值和实验值符合较好,也证实混合型模型既反映实际,又使模型求解变得相对容易。     

Optimization study on the azeotropic distillation process for isopropyl alcohol dehydration

Modeling and optimization work was performed using benzene as an entrainer to obtain a nearly pure anhydrous isopropyl alcohol product from dilute aqueous IPA mixture through an azeotropic distillation process. NRTL liquid activity coefficient model and PRO/II with PROVISION 6.01, a commercial process simulator, were used to simulate the overall azeotropic distillation process. We determined the total reboiler heat duties as an objective function and the concentration of IPA at concentrator top as a manipulated variable. As a result, 38.7 mole percent of IPA at concentrator top gave the optimum value that minimized the total reboiler heat duties of the three distillation columns.     

Comparing three configurations of the externally heat-integrated double distillation columns (EHIDDiCs)

In terms of separation of a binary mixture of ethylene and ethane, three configurations of externally heat-integrated double distillation columns (EHIDDiCs), including a symmetrical EHIDDiC (S-EHIDDiC), an asymmetrical EHIDDiC (A-EHIDDiC), and a simplified asymmetrical EHIDDiC (SA-EHIDDiC), are compared with respect to aspects related to process design and controllability. It has been found that the A-EHIDDiC and SA-EHIDDiC are superior to the S-EHIDDiC in terms of thermodynamic efficiency as well as in terms of process dynamics and controllability. As for the comparison between the A-EHIDDiC and SA-EHIDDiC, the latter shows somewhat comparable behaviors with the former in terms of process design and controllability. These results demonstrate that the asymmetrical configuration should generally be favored over the symmetrical one for the development of the EHIDDiC. It is feasible to approximate external heat integration using three heat exchangers between the high- and low-pressure distillation columns involved.     

A simulation and parametric study of four existing multi-component distillation columns

The Θ-method and block-relaxation method of solving The non-linear set of algebraic equations which describe the leady-state behavior of standard distillation columns are compared. The results from the mathematical models are compared with actual plant performance of a depropanizer, debutanizer, de-ethanizer, and ethane-ethylene splitter. Column section efficiencies are tabulated. A parametric study of the variation of feed condition, reflux condition and flow, and feed tray location was made on these columns and the responses of the key component concentrations have been mapped. Such a study permits improvement of current plant operation. Its use for design of more efficient columns and arranangements is indicated.     

A unified description of the distillation of ideal mixtures

It is shown that the distillation of multicomponent ideal mixtures may be regarded as a superposition of the distillation of ternary mixtures and that the equation describing the distillation of ternary mixtures may be reduced to one single fundamental equation. This fundamental equation contains the lightest, the heaviest and one intermediate boiling component and is equally valid for distillation based on theoretical trays as well as packings. It applies to the distillation at total and finite reflux and also includes the limiting cases of reversible distillation or distillation with a mass transfer resistance either on the gas or on the liquid side. This reduction of the distillation of multicomponent mixtures to the distillation of a ternary mixture and to one single equation greatly simplifies the understanding of the complexities of multicomponent distillation.     

混合物分离单元操作之吸收和蒸馏

分离混合物的方法中,吸收是针对气体混合物的分离,根据混合气体中各组分溶解度的不同实现分离,应用于原料气的净化;回收有用组分;制取液体产品;废气治理等。蒸馏是针对液体均相混合物的分离,根据混合物中个组分挥发度的不同实现分离,应用于产品提纯等。本文通过对吸收和精馏操作的分析,对化工生产过程中实现分离提纯的目的提供一定的理论依据。     

The use of dilute acetic acid for butyl acetate production in a reactive distillation: Simulation and control studies

The recovery of dilute acetic acid, which is widely found as a by-product in many chemical and petrochemical industries, becomes an important issue due to economic and environmental awareness. In general, separation of acetic acid in aqueous solution by conventional distillation columns is difficult, requiring a column with many stages and high energy consumption. As a result, the primary concern of the present study is the application of reactive distillation as a potential alternative method to recover dilute acetic acid. The direct use of dilute acetic acid as reactant for esterification with butanol to produce butyl acetate in the reactive distillation is investigated. Simulation studies are performed in order to investigate effect of the concentration of dilute acetic acid and key process parameters on the performance of the reactive distillation in terms of acetic acid conversion and butyl acetate production. In addition, three alternative control strategies are studied for the closed loop control of the reactive distillation. The control objective is to maintain the butyl acetate in a bottom product stream at the desired purity of 99.5 wt%.