Sequential simulation of packed distillation columns using rate-based model

Though a packed column has continuous internal structure from top to bottom, the design procedure of the column handles it like the trayed column in both the equilibrium-stage design and the rate-based model design. The differential equation of material balance is good for the continuous phase of the packed column. But the counter flow of vapor and liquid streams makes solving the differential equation difficult. We propose a sequential solving procedure of the packed-column model using an iterative computation. The computed results for the systems of methanol/ethanol, ethanol/n-propanol and methanol/n-propanol were compared with the experimental results to examine the usefulness of the proposed procedure for the simulation of the packed column. The comparison indicates that the proposed procedure predicts satisfactory results of column profiles in the packed column.     

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.     

Simulation and analysis of extractive distillation process in a valve tray column using the rate based model

Valve trays are becoming popular in the chemical process industries owing to their flexibility to handle a wide range of vapor throughputs. Using the rigorous rate based model, the importance of the non-equilibrium approach is demonstrated for a typical extractive distillation process in a Glitsch V-1 valve tray column. Simulation results based on an in-house developed code indicated that the rate based model predictions for a valve tray column operation showed significant differences relative to the equilibrium model. Even small errors in product purities translated into nonoptimal feed stage locations and inaccurate number of stages required. The counter-intuitive effect of high reflux ratio on separation is explained.     

Modeling a non-equilibrium distillation stage using irreversible thermodynamics

We compare transport equations derived from non-equilibrium thermodynamics to a classical rate model developed over the last 20 years, in terms of their ability to calculate the heat and mass fluxes by modeling a segment of a packed distillation column. We show, using water and ethanol separation as an example, that there is a significant coupling between heat and mass transfer. Neglect of this transport coefficient leads to variations in the magnitude, even the sign of the calculated heat flux, while the mass flux is less affected.     

Modeling of ethanol dehydration by diffusion distillation in consideration of the sensible heat transfer

The diffusion distillation is the evaporation and diffusion process below the boiling temperature of the mixture in a gap filled with the inert gas. It can separate the azeotropic mixture of ethanol and water. The mass transfer in a differential single column can be described by the Maxwell-Stefan equations. Differential mass balances which can extend a column model from a differential single column to an integral column and heat balances were suggested. The new model considers the sensible heat transfers and develops algorithm which enables to calculate interfacial temperature more precisely at condensing liquid film and include one more iterative loop. The results are compared with the experimental data and other models.     

化学法测定鼓泡塔中的相界面积和传质系数

本文开发了一种新的物质，用Na2SO3溶液吸收空气中的O2，并伴有物理解吸C2H4来同时测定α和kL，以保证α和kL的测定在同一流体力学条件下进行，在单气泡时，将Na2SO3-O2-C2H4系统测得的αchem与通过气泡大小及上升速度经计算而得到的αgeo进行了比较，校核了αchem的准确性，并将此系统测得的kL,C2H4与化学法测得的kL,o2进行了比较，得知它们十分接近，且其关系符合Danckwerts模型。将该物系用于气泡群，测定了不同空塔气速下的α、kL和ε，并进行了数据关联，取得了相当满意的结果。通过对不同清液层高度下传质系数的测量，发现喷嘴附近的传质系数比全塔平均值高3－5倍，说明有相当比例的传质发生在喷嘴附近。     

Transport equations for distillation of ethanol and water from the entropy production rate

We have derived a set of transport equations for heat and mass transfer across a liquid-vapour interface in distillation columns. We have used the entropy production rate on each tray, and integrated through the interface, when the liquid is not in equilibrium with the vapour. The set, that defines overall coefficients of transport, includes contributions from the interface, from the vapour film, and from the liquid film. It is shown, using data for a rectifying column that separates ethanol and water, that the coefficients can be determined by fitting the transport equations to the entropy production rate, with the constant thickness of one of the films as the only adjustable variable. Almost all of the entropy production is due to mass transfer between the phases. Coefficient values were determined for a large and a small value for the film thickness ratio as a function of temperature. The distribution of the entropy production rate between the phases depends largely on the film thickness, but its distribution between mass and heat transfer contribution does not depend on this variable. A contribution from the Soret or Dufour effect is found for large liquid films. The driving force for mass transfer, calculated with coefficients and rates, compared well with average values, which were calculated from the experimental data. The set of equations was compared to the Maxwell-Stefan equation set. Since it contains the interface contribution and coupling, it can be used to asses common approximations.     

Thermodynamic optimisation of distillation columns

In this paper a methodology for thermodynamic analysis and distillation column ‘targeting’ is presented, with emphasis on the use of side condensers and side reboilers. Research in the past has been towards the establishment of a heat distribution curve, showing the way in which heat can be added or extracted across the different column sections. One major disadvantage of these profiles is that they refer to reversible columns, and cannot be used effectively to target for modifications in a real column.The main feature of the proposed methodology is the introduction of a minimum driving force, defined in terms of exergy loss distribution of the existing column, to set realisable targets for side reboiling/condensing in real columns, resulting in considerable energy savings. In addition to providing realisable targets, the new approach also provides the design engineer with information about the best location to place a side exchanger, and the required additional column modifications. The methodology can be applied using conventional column models in commercial process simulation programs, but can be significantly simplified by using reboiled and refluxed absorber models in a bespoke program. Simulation results for modified designs set by the new approach, for binary and multicomponent separations, verify the feasibility of the targets. This contrasts with previous approaches, which result in temperature shifts and heat load penalties after placing side reboilers/condensers, thus requiring additional simulation time and experienced judgement.     

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.     

Development on a coaxial heat integrated distillation column (HIDiC)

Various configurations of a column for performing the principle of HIDiC can be proposed, but a coaxial column which is installed a packing in an inside tube and outer side may be one of the simplest columns for HIDiC. In order to examine whether or not the configuration of the packed column mentioned above is appropriate to HIDiC, an experimental apparatus has been set up and heat and mass transfer rates have been measured by using benzene-toluene system. This paper was presented at The 5th International Symposium on Separation Technology-Korea and Japan held at Seoul between August 19 and 21, 1999.     

Control and dynamic analysis of a packed distillation column based on modeling approaches

In this work, dynamic analysis and control of a packed distillation column have been utilized theoretically and experimentally. In theoretical studies, two types of mathematical models stagewise (Frank model) and partial differential approaches (back-mixing model), were used. Packed distillation uses 1400 mm packing height, and packing type is rashing ring with 20-15 mm diameter. The reboiler was made from a 13 L glass container. Reflux ratio was adjusted by an on-line computer. The system temperature was measured with six thermocouples. For control studies, the reflux ratio and the reboiler heat dutywere chosen as manipulated variables. Perturbation in feed composition was utilized as the disturbance. Decoupling multivariable dynamic matrix control (DDMC) and Nondecoupling multivariable dynamic matrix control (NDMC) of overhead and bottom compositions were applied for control studies. Performance of the control system was tested by using an integral absolute error (IAE) criterion and it was also compared with decoupling multivariable PID control (DPID) and Nondecoupling multivariable PID control (NDPID).     

A two-stage blade-packing rotating packed bed for intensification of continuous distillation

A two-stage blade-packing rotating packed bed(TSBP-RPB) was designed and developed for the intensification of continuous distillation. The mass transfer parameters of the TSBP-RPB were investigated using a chemisorption system. Continuous distillation experiments were conducted in the TSBP-RPB by the methanol–water binary system. Experimental results showed that values of the effective interfacial area and liquid-side mass transfer coefficient of the TSBP-RPB were 93–337 m~2·m~(-3) and 0.05–0.19 cm·s~(-1), respectively. The height of equivalent theoretical plate(HETP) of the TSBP-RPB ranged from 1.9 to 10 cm. Moreover, the TSBP-RPB is easy to be manufactured, which shows great potential for the application of continuous distillation.     

用颗粒热传递模型计算旋转列管干燥机的传热系数

采用基于移动加热板的颗粒热传递模型计算大型旋转列管干燥机的传热系数。在料床完全混合的简化假设下 ,按物料在干燥机内的实际干燥过程分段计算各段的传热系数及整机总传热系数 ,其结果与干燥机的实际运行情况基本相符。     

Combined Absorption and Self-Decomposition of Ozone in Aqueous Solutions with Interfacial Resistance

A theoretical analysis is performed employing the film model for the isothermal absorption and self-decomposition of ozone in aqueous solutions with interfacial resistance, which is inversely proportional to the interfacial mass transfer coefficient k_s. A closed-form solution has been obtained. The effects of system parameters on the ozone mass transfer rate are examined. These parameters include the interfacial resistance (1/k_s), the acidic and basic self-decomposition reaction rate parameters (M_m ^0.5, M_n ^0.5.; M_m = [2D_Ak_mC_Ai ^m-1/(m+1)]/(k_L ⁰)², M_n=(2D_Ak_nC_Ai ^n-1/(n+1))/(k_L ⁰)², the reaction orders (m,n), the pH value of solution, and the liquid-phase mass transfer coefficient (k_L ⁰). The results indicate that the reduction effect of the interfacial resistance on the absorption rate is most significant for the situation with the larger values of M_m and M_n as well as with higher pH values. Also, for any particular finite value of k_L ⁰/k_s, the reduction effect encountered is greater for a gas liquid contactor with a lower k_L ⁰. The reduction effect should be avoided in order to maintain a higher mass transfer rate of ozone in aqueous solution. This analysis is of importance for the efficient use of ozone in water/wastewater treatment processes in the presence of interfacial resistance substances such as surface active agents. For some known special cases (for example, cases with no interfacial resistance), the present solution reduces to the previous works of other investigators.     

Gas-phase resistance to the vaporization of mercuric halides in high-temperature atmospheric gaseous condition

Gas-phase resistances to the vaporization of three mercury halides into atmosphere at elevated temperatures were evaluated. Lab-scale vaporization experiments for mercuric bromide, mercuric iodide and mercuric chloride were performed and the results were analyzed to evaluate gas-phase resistance to vaporization of three mercuric halides using the vaporization and condensation model. Overall mass transfer coefficients. K_G for the sample mercuric halides, were in the range between 4.8× 10⁶ and 1.6× 10⁵ g-mole sec¹ cm² atm¹ at the temperatures from the subliming to boiling temperatures and were much smaller than interfacial mass transfer coefficients, k_i. It was estimated that resistance of pure gasphase mass transfer is much larger than that of the phase transition between condensed and gas phases. It could be therefore said that gas-phase mass transfer coefficients, k_G for mercuric halides, were nearly equal to overall mass transfer coefficient, K_G which could be determined as a function of temperatures.     

Application of a thermally coupled distillation column with separated main columns to gas concentration process

A modified fully thermally coupled distillation column (FTCDC) for operability improvement is utilized in a gas concentration process. The column consists of a prefractionator and two separated main columns having high distillation efficiency and flexible control structure. The operability of the proposed column is evaluated by examining the open-loop dynamic responses of step input variations with the HYSYS simulation. The simulation result indicates that the modified system can give better control than the original FTCDC. The energy saving and reduction of construction cost are discussed, and the ease of vapor flow manipulation and the elimination of a compressor in the vapor transfer are also evaluated as possible improvements.     

Comparison of Mass Transfer Efficiency and Energy Consumption in Static Mixers

The aim of this study was to compare the pressure drop (Δp) generated by a static mixer with sieve plates in two-phase downflow (water as a continuous phase), and the mass transfer efficiency (k_La, a) with the performance of other static mixers (Sulzer, Kenics, Karman, etc.). The relationships for Δp, k_La and interfacial area (a) calculation depending on liquid and gas phase velocities and geometry of the plates (sieves) in this static mixer are presented. k_La was found to be strictly proportional to the power consumption (P/V) and its values were quite close to those obtained in Sulzer & Kenics mixers with an 8-element mesh. Enhancement factors for oxygen absorption in the sodium sulphite solution and for ozone absorption in Lake Ülemiste water were calculated and the plausible values of the interfacial area (a) were estimated.     

A new mass transfer model for cyclic adsorption and desorption

This article presents a new mass transfer model which describes mass transfer rates in a spherical particle where cyclic adsorption and desorption occur. The parameters in the model equation were determined by matching the exact numerical solution to the prediction of this rate law over a range of cycle times. The maximum error was found to be 4.3%. Since the parameters are independent of cycle time, this model equation can be generally used for cyclic adsorption and desorption process regardless of the cycle time and cycle configuration.     

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.