The Design and Control of Distillation Column with Side Reactors for Chlorobenzene Production

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.

MPC of distillation column with side reactors for methyl acetate

This paper focuses on the dynamic control of distillation column with side reactors(SRC) for methyl acetate production. To obtain the optimum integrated structure and steady state simulation, the systematic design approach based on the concept of independent reaction amount is applied to the process of SRC for methyl acetate production. In addition to the basic control loops, multi-variable model predictive control modular with methyl acetate concentration and temperature of sensitive plate is designed. Then, based on process simulation software Aspen Plus, dynamic simulation of SRC for methyl acetate production is used to verify the effectiveness of the control scheme.

Temperature inferential control of a reactive distillation column with double reactive sections

Temperature inferential control (TIC) is studied for a reactive distillation column with double reactive sections (RDC-DRSs) processing a hypothetical two-stage consecutive reversible reaction (A + B■C + D, C + B■E + D with αD > αB > αC > αA > αE). Because of the complicated dynamic behaviors, the controlled stages by sensitivity analysis lead to great steady-state deviations (SSDs) in top and bottom product purities. Since TIC involves considerably reduced settling times in comparison with direct composition control, small SSDs in product qualities correspond generally to small transient deviations (TDs) in product qualities. An objective function that measures SSDs in product qualities is formulated to represent the performance of a TIC system and an iterative procedure is devised to search for the best control configuration. The application of the procedure to the RDC-DRS gives considerably suppressed TDs and SSDs in top and bottom product qualities as compared with the one by sensitivity analysis. The method is simpler in principle and less computationally intensive than the current practice. These striking outcomes show the effectiveness of the proposed principle for the development of TIC systems for complicated reactive distillation columns.

Modeling bubble column reactor with the volume of fluid approach:Comparison of surface tension models

This work aims at comparing surface tension models in VOF(Volume of Fluid) modeling and investigating the effects of gas distributor and gas velocity. Hydrodynamics of a continuous chain of bubbles inside a bubble column reactor was simulated. The grid independence study was first conducted and a grid size of 1.0 mm was adopted in order to minimize the computing time without compromising the accuracy of the results. The predictions were validated by comparing the experimental studies reported in the literature. It was found that all surface tension models can describe the bubble rise and bubble plume in a column with slight deviations.

Shortcut Procedure for Inverted Batch Distillation Column (I) Multicomponent Ideal System

Inverted batch distillation column(stripper) is opposed to a conventional batch distillation col-umn(rectifier). It has a storage vessel at the top and products leave the column at the bottom. The batch stripper is favourable to separate mixtures with a small amount of light components by removing the heavy components as bottom products. In this paper, we are presenting a shortcut procedure based on our earlier work for design and simulation of the inverted batch distillation column, which is equivalent to the Fenske-Underwood-Gilliland procedure for continuous distillation. Given a separation task, we propose to compute the minimum number of stages(Nbmin) and the minimum reboil ratio(Rbmin) required in a batch stripper,which are the stages and reboil ratio required in a hypothetical inverted batch distillation column operating in total reboil ratio or having an infinite number of stages, respectively. Then, it is shown that the performance of inverted batch columns with a finite number of stages and reboil ratios could be correlated in Gilliland coordinates with the minimum stages Nbmin and the minimum reboil ratio Rbmin.

Experimental Investigation on Heat Exchange and Separation Performance of an Annular Structured Internal Heat-integrated Distillation Column

In this paper heat exchange coefficient and separation efficiency of an annular structured internal heat-integrated distillation column(HIDi C) were experimentally measured. About 50% heat of the inner column could be transferred to the outer column. The overall heat exchange coefficient decreased with an increase in pressure ratio of the inner column and the outer column, but was little affected by the F-factor. The increase of the pressure ratio decreased obviously the separation efficiency of the outer column but had little effect on that of the inner column.

A New Model for the Simulation of Distillation Column

A new computational mass transfer model is proposed for simulating the distillation process by solving the fluctuating mass flux u^＇ic^＇ for the closure of turbulent mass transfer equation in order to obtain the concentration profile and the separation efficiency of distillation column. The feather of the proposed model is to abandon the conventional way of introducing the turbulent mass transfer diffusivity （dispersion coefficient） to the turbulent mass transfer equation. To verify the validity of the proposed model, a commercial scale packed column and a sieve tray column were simulated and compared with published experimental data. The simulated results were satisfactorily confirmed in both concentration distribution and senaration efficiency.

Modeling of mass transfer characteristics of bubble column reactor with surfactant present

Danckwert’s method was used to determine the specific interfacial area, a, and the individual mass transfer coefficient, kL, during absorption of CO2 in a bubble column with an anionic surfactant in the carbonate-bicarbonate buffer solution and NaAsO2 as catalyst, the presence of which decreases the specific interfacial area and the individual mass transfer coefficient. The specific interfacial area and the individual mass transfer coefficient increase with increasing su- perficial gas velocity. The specific interfacial area decreases whereas the individual mass transfer coefficient increases with increasing temperature. The results of experiments were used to determine the dependence of a, kL, and kLa on the surface tension, the temperature of the absorption phase, and the superficial velocity of the gas. The calculated results from the correlation were found to be within 10% deviation from the actual experimental results.

The Operation of Draining Column Holdup for Slop Cut Withdrawal in Batch Distillation

The new mode of operation for slop cut withdrawal in batch distillation, i.e., draining Column liquid holdup at the end of slop cut period, was proposed. And the stopping criterion for the operation was investigated, Experiments were carded out with isopropanol-n-propanol binary system and isopropanol-n-propanol-n-butanol ternary system in a distillation column with a liquid collector installed between the reboiler and the column section, Experimental results in a Ф 45mm batch column show that the proposed policy can overcome the flywheel effect caused by column liquid holdup and thus cut down operation time and energy consumption 31%-61%.

An Axial Dispersion Model for Evaporating Bubble Column Reactor

Evaporating bubble column reactor (EBCR) is a kind of aerated reactor in which the reaction heat is removed by the evaporation of volatile reaction mixture. In this paper, a mathematical model that accounts for the gas-liquid exothermic reaction and axial dispersions of both gas and liquid phase is employed to study the performance of EBCR for the process of p-xylene(PX) oxidation. The computational results show that there are remarkable concentration and temperature gradients in EBCR for high ratio of height to diameter (H/DT). The temperature is lower at the bottom of column and higher at the top, due to rapid evaporation induced by the feed gas near the bottom. The concentration profiles in the gas phase are more nonuniform than those (except PX) in the liquid phase, which causes more solvent burning consumption at high H/DT ratio. For p-xylene oxidation, theo ptimal H/DT is around 5.

Modeling and optimization of industrial Fischer–Tropsch synthesis with the slurry bubble column reactor and iron-based catalyst

To optimize industrial Fischer-Tropsch （IT） synthesis with the slurry bubble column reactor （SBCR） and iron- based catalyst, a comprehensive process model for IT synthesis that includes a detailed SBCR model, gas liquid separation model, simplified CO2 removal model and tail gas cycle model was developed. An effective iteration algorithm was proposed to solve this process model, and the model was validated by industrial demonstration experiments data （SBCR with 5.8 m diameter and 30 m height）, with a maximum relative error 〈 10% for predicting the SBCR performances. Subsequently, the proposed model was adopted to optimize the industrial SBCR performances simultaneously considering process and reactor parameters variations. The results show that C5＋yield increases as catalyst loading increases within 10-70 ton and syngas H2/CO value decreases within 1.3-1.6, but it doesn＇t increase obviously when the catalyst loading exceeds 45 ton （about 15 wt% concentration）. Higher catalyst loading will result in higher difficulty for wax/catalyst separation and higher catalyst cost. There- fore, the catalyst loading （45 ton） is recommended for the industrial demonstration SBCR operation at syngas H2/ CO = 1.3, and the C5 ＋ yield is about 402 ton＂ per day, which has an about 16% increase than the industrial dem- onstration run result.

An optimization method for enhancement of gas–liquid mass transfer in a bubble column reactor based on the entropy generation extremum principle

In this study,an optimization method is proposed to enhance the gas–liquid mass transfer in bubble column reactor based on the entropy generation extremum principle.The mass transfer–induced entropy generation can be maximized with the increase of mass transfer rate,based on which the velocity field can be optimized.The oxygen gas–liquid mass transfer is the major rate–limiting step of the toluene emissions biodegradation process in bubble column reactor,so the entropy generation due to oxygen mass transfer is used as the objective function,and the conservation equations of the gas–liquid flow and species concentration are taken as constraints.This optimization problem is solved by the calculus of variations,the optimal liquid flow pattern is obtained and the relationship of the maximum mass transfer enhancement on viscous dissipation is revealed,which can be used to improve the design of internal structure of the bubble column reactor.

Different efficiency toward the biomimetic aerobic oxidation of benzyl alcohol in microchannel and bubble column reactors: Hydrodynamic characteristics and gas–liquid mass transfer

The selective aerobic oxidation of benzyl alcohol to benzaldehyde has attracted considerable attention because benzaldehyde is a high value-added product. The rate of this typical gas–liquid reaction is significantly affected by mass transfer. In this study, CoTPP-mediated(CoTPP: cobalt(II) mesotetraphenylporphyrin) selective benzyl alcohol oxidation with oxygen was conducted in a membrane microchannel(MMC) reactor and a bubble column(BC) reactor, respectively. We observed that 83% benzyl alcohol was converted within 6.5 min in the MMC reactor, but only less than 10% benzyl alcohol was converted in the BC reactor. Hydrodynamic characteristics and gas–liquid mass transfer performances were compared for the MMC and BC reactors. The MMC reactor was assumed to be a plug flow reactor,and the dimensionless variance was 0.29. Compared to the BC reactor, the gas–liquid mass transfer was intensified significantly in MMC reactor. It could be ascribed to the high gas holdup(2.9 times higher than that of BC reactor), liquid film mass transfer coefficient(8.2 times higher than that of BC reactor), and mass transfer coefficient per unit interfacial area(3.8 times higher than that of BC reactor). Moreover,the Hatta number for the MMC reactor reached up to 0.61, which was about 15 times higher than that of the BC reactor. The computational fluid dynamics calculations for mass fractions in both liquid and gas phases were consistent with the experimental data.

Optimization of the reflux ratio of benzene-toluene stage distillation columns by the Cuckoo algorithm

In this study, an enthalpy-concentration method was applied in order to model a steady state continuous benzene-toluene mixture distillation column. For a distillation tower such as the benzene- toluene splitter, there are relatively few degrees of freedom that can be manipulated in order to minimize the total annualized cost. The reflux ratio can influence the steady-state operating point and therefore influence the total annualized cost. The trade-offs between reflux ratios and total annualized cost were discussed. The Cuckoo optimization algorithm was applied to obtain a correlation for the optimum value of the reflux ratio as a power function of the economic parameters of energy price and capital cost. The results show that, at low energy price or high capital cost, the optimum reflux factor is high.

Modeling of a slurry bubble column reactor for Fischer-Tropsch syn- thesis

On the basis of the global CO consumption rate model, the lumped product distribution model and the sedimenta- tion-dispersion model of a catalyst, a steady-state, one-dimensional mathematical model of the slurry bubble column reactor for Fischer-Tropsch synthesis were established. The mathematical simulation of the slurry bubble column reactor for Fischer-Tropsch synthesis was carried out under the following typical industrial operating conditions： temperature 230 ℃, pressure 3.0 MPa, gas flow 5x 105 m3/h, catalyst content in slurry phase 30%, reactor diameter 5.0 m and the composition of feed gas： y（H2）=0.60, y（CO）=0.30, y（N2）=0.10. The influences of operating pressure, temperature and re（HE）Ira（CO） in feed gas on the reactor＇s reaction performance were simulated.

Troubleshooting Distillation Column by Gamma Ray Scanning Technique

A digitally controlled three-dimensional gamma-scanning apparatuswas developed and used to trou- bleshoot distillation column is thepresent investigation. In a 140 mm (ID) model column, variousmalfunctional phenomena, both rate and process related conditions andstructural problems, which may be frequently encountered in theoperation of tray and packing columns, were experimentally simulatedand tested with the developed scan- ning system. The experimentalresults showed that the scanning spectra can fairly reflect thesimulated phenomena.

The Analysis of Distillation Tray Column Efficiency by Fluid Dynamics and Mass Transfer Computation

It has long been found that the flow pattern of the liquid phase on distillation tray is of great importance on distillation process performance. But until now, there was very few published work on quantitative investigation of this subject. By combining the computational fluid dynamics (CFD) with the mass transfer equation, a theoretical model is proposed for predicting the details of velocity and concentration distributions as well as the tray efficiency of distillation tray column. Using the proposed model, four different cases corresponding to different assumptions of liquid and vapor flowing condition for a distillation tray column were investigated. In Case I, the distributions of velocity and concentration of the incoming liquid from the downcomer and the uprising vapor from the underneath tray spacing are uniform. In Case n, the distribution of the incoming liquid is non-uniform but the uprising vapor is uniform. In Case HI, the distribution of the incoming liquid is uniform but the uprising vapor is non-uniform. In Case IV, the distributions of both the incoming liquid and the uprising vapor are non-uniform. The details of velocity and concentration distributions on a multiple sieve tray distillation column in four different cases were simulated using the proposed model. It is found that the shape of the simulated concentration profiles of vapor and the liquid is quite different from case to case. The computed results also show that the tray efficiency is highly reduced by the maldistribution of velocity and concentration of the incoming liquid and uprising vapor. The tray efficiency for Case I is higher than Case Ⅱ or Case Ⅲ, and that for Case Ⅳ is the lowest. It also reveals that the accumulated effect of maldistribution becomes more pronounced when the number of column trays increased. The present study demonstrates that the use of computational method to predict the mass transfer efficiency for the tray column, especially for the large one, is feasible.

Enhanced temperature difference control of distillation columns based on the averaged absolute variation magnitude

Temperature difference control(TDC)schemes can clearly suppress the adverse influence of pressure variations on product quality control of various distillation columns(DCs)by employing temperature differences(TDs)between the sensitive stage temperature(T_(S))and reference stage temperature(T_(R)),i.e.,T_(S)-T_(R),to infer the controlled product qualities.However,because the TDC scheme has failed to specially take the corresponding relationship between the TD employed in each control loop and the controlled product quality into account,it may suffer from relatively large steady-state errors in the controlled product qualities.To address this problem,an enhanced TDC(ETDC)scheme is proposed in the current article,in which an enhanced TD(ETD),i.e.,T_(S)-α×T_(R),is employed to replace the conventional TD for each control loop.While the locations of the sensitive and reference stages of the ETD are respectively determined according to sensitivity analysis and SVD analysis,the adjusted coefficientαis set to be the ratio between the averaged absolute variation magnitudes(AAVMs)of the T_(S)and T_(R)so that the relationship between the T_(S)and T_(R)can be appropriately coordinated.With reference to the operations of three different distillation systems,i.e.,one conventional DC distilling an ethanol(E)/butanol(B)binary mixture,one conventional DC distilling an E/propanol(P)/B ternary mixture,and one dividing-wall distillation column distilling an E/P/B ternary mixture,the performance of the ETDC scheme is assessed by compared with the conventional TDC scheme and the double TD control(DTDC)scheme.The dynamic simulation results show that the ETDC scheme is better than the conventional TDC scheme with reduced steady-state errors in the controlled product qualities and improved dynamic responses,and is comparable with the DTDC scheme despite the less temperature measurements are employed.

Heat Transfer Investigation and Modeling of Heat Integrated Distillation Column

The high degree of reversibility of heat integrated distillation column(HIDiC) has been thermodynamically interpreted by the entropy method. In this paper, a heat transfer model and a more universal method were proposed, through which the overall heat transfer coefficient at different height of column under different operating conditions could be obtained before the experiment. Then the separation of a binary ethanol-water system was carried out experimentally as a case study to verify the heat transfer model and the aforementioned calculation method. The close results between the calculation, the simulation, and the experiments suggested that the proposed model and the calculation method in this paper were accurate and applicable. Meanwhile, it was demonstrated that the HIDiC shows obvious effect of reducing entropy increase and improving thermodynamic efficiency as compared to conventional distillation column.

Systematic exploration of the applicability of the idiomatic vapor balance rule to distillation column consolidation

For N-component distillation(N≥3),consolidation between different column sections is an inevitable manipulation when synthesizing complex distillation configurations.In the consolidation,the idiomatic vapor balance(IVB)rule,in which the larger vapor flowrate in the two columns before consolidation will be chosen as the balanced vapor flowrate at the consolidation point,has been widely used.However,the applicability of the IVB rule has not been verified,which is of essential importance to the accuracy of the distillation configuration synthesis.In the present study,the applicability of the IVB rule to distillation column consolidation was systematically explored by rigorous method for the first time.First,the separation of ideal and non-ideal three-component mixtures with variable compositions was studied,and the optimized configurations before and after consolidation were determined by a rigorous method.The results indicated that for the separation of an ideal mixture,the IVB rule was applicable for the whole composition range,while for the separation of a non-ideal mixture,the IVB rule was only applicable for very limited composition range.Finally,two cases of synthesizing distillation configurations for the separation of non-ideal mixtures were studied to verify the remarkable deviations the IVB rule may cause.The results indicated that the applicability of the shortcut method using the IVB rule to the distillation configuration synthesis depended on the composition of the non-ideal mixture,and a remarkable error might result and the truly optimal configuration might be missed if the IVB rule is applied to a non-ideal mixture.