Guocong Yu

CFD Simulation of Flow and Mass Transfer in Structured Packing Distillation Columns

Abstract Detailed investigation of flow behavior in structured packing distillation columns is of great importance in accurate prediction of process efficiency and development of more efficient and optimal equipment internals. In this study, a three-dimensional two-phase flow model based on VOF method for simulating the hydrodynamics and mass-transfer behavior in a typical representative unit of the structured packing is developed. In the proposed model, the c 2 ¯ - ɛ c model is used for the closure of turbulent mass transfer equation. By solving the proposed model, the velocity distribution, phase fraction profile and concentration field are obtained. Using these data, the total liquid holdup, the wetted area and the separation efficiency [height equivalent to a theoretical plate (HETP)] are estimated. For testing the model validation, the simulated HETPs are compared with our previous experimental data obtained in a 150 mm-diameter column containing Mellapak 350Y operating at the pressures of 0.6-1.8 MPa. The comparison shows that they are in satisfactory agreement, with an average absolute deviation (AAD) of 25.4%.

Characterization of Rayleigh Convection in Interfacial Mass Transfer by Lattice Boltzmann Simulation and Experimental Verification

Abstract Concentration gradient induced Rayleigh convection can influence effectively interfacial mass transfer processes, but the convection phenomena are known as mesoscopic and complex. In order to investigate this phenomenon, a two-equation Lattice Boltzmann Method (LBM) is proposed to simulate the velocity and the concentration distributions of Rayleigh convection generated in the CO 2 absorption into ethanol liquid. The simulated results on velocity distributions are experimentally verified by PIV (particle image velocimetry technique) measurements. In order to simplify the analysis, the convection in the simulation as well as in the experiment, the Rayleigh convection was manipulated into a single down flow pattern. The simulated results show that the concentration contours agree qualitatively with the schlieren images in the literature. The experimental and simulated results show that the Rayleigh convection under investigation is dominated by the flow in the downward direction and impels exchange of the liquid between the interfacial vicinity and the liquid bulk promoting the renewal of interfacial liquid, and hence enhances mass transfer. The comparison between the simulated and experimental results demonstrated that the proposed LBM is a promising alternative for simulating mass transfer induced Rayleigh convection.

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 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 separation efficiency.

Computational Mass Transfer Method for Chemical Process Simulation

The recent works on the development of computational mass transfer (CMT) method and its applications in chemical process simulation are reviewed. Some development strategies and challenges in future research are also discussed.

Numerical Investigation on Effect of Vapor Split Ratio to Performance and Operability for Dividing Wall Column

Operability problem of dividing wall column (DWC) raised by vapor split was investigated by numerically analyzing four cases defined by different compositions of a three-component mixture. DWCs were firstly designed for each case by optimizing the vapor split to the two sides of the dividing wall, and then their feasibilities and total annual costs in operation were evaluated against different vapor split ratios. The analysis on the operability of the DWC for four cases was made based on two scenarios: (1) vapor split is shifted by the vapor resistance difference between the column sections in the two sides of the dividing wall and (2) the feed composition is changed. It was demonstrated that the positioning of the dividing wall and the decision on the vapor split may affect significantly the operability of a DWC.

Experimental Investigation of Single-phase Flow in Structured Packing by LDV*

To date, many models have been developed to calculate the flow field in the structured packing by the computational fluid dynamics (CFD) technique, but little experimental work has been carried out to serve the validation of flow simulation. In this work, the velocity profiles of single-phase flow in structured packing are measured at the Reynolds numbers of 20.0, 55.7 and 520.1, using the laser Doppler velocimetry (LDV). The time-averaged and instantaneous velocities of three components are obtained simultaneously. The CFD simulation is also carried out to numerically predict the velocity distribution within the structured packing. Comparison shows that the flow pattern, velocity distribution and turbulent kinetic energy (for turbulent flow) on the horizontal plane predicted by CFD simulation are in good agreement with the LDV measured data. The values of the x-and z-velocity components are quantitatively well predicted over the plane in the center of the packing, but the predicted y-component is significantly smaller than the experimental data. It can be concluded that experimental measurement is important for further improvement of CFD model.

Prediction of Distillation Column Performance by Computational Mass Transfer Method

Abstract A computational mass transfer model is proposed for predicting the concentration profile and Murphree efficiency of sieve tray distillation column. The proposed model is based on using modified two equations formulation for closing the differential turbulent mass transfer equation with improvement by considering the vapor injected from the sieve hole to be three dimensional. The predicted concentration distributions by using proposed model were checked by experimental work conducted on a sieve tray simulator of 1.2 meters in diameter for desorbing the dissolved oxygen in the feed water by blowing air. The model predictions were confirmed by the experimental measurement. The validation of the proposed model was further tested by comparing the simulated result with the performance of an industrial scale sieve tray distillation column reported by Kunesh et al . for the stripping of toluene from its water solution. The predicted outlet concentration of each tray and the Murphree tray efficiencies under different operating conditions were in agreement with the published data. The simulated turbulent mass transfer diffusivity on each tray was within the range of the experimental result in the same sieve column reported by Cai et al . In addition, the prediction of the influence of sieve tray structure on the tray efficiency by using the proposed model was demonstrated.

Towards the Mechanism of Mass Transfer of a Single Bubble

This paper focuses on the mechanism of interfacial mass transfer of a single bubble, based on the chemical potential driving force, an approach for calculating interfacial concentration in practical process is proposed. The absorption processes of bubble under both quiescent and mobile conditions are analyzed and discussed respectively. For a stationary absorption, only in the case of liquid bulk concentration near saturated value, the interfacial concentration could close to the equilibrium value; For a moving bubble, under ordinary operating condition (Yo>1), the interfacial concentration is far from its equilibrium. Only under bulk concentration near saturated value or a smaller Yo(Yo<0.1) which may involve the complication of additional resistance at interface induced by surface contamination or surfactant added, the interfacial concentration could be approximate to equilibrium value. The interfacial concentration close to the interface on liquid side for a single CO2 bubble absorbed by methanol is measured using a modern optical instrumentation in which the laser holographic interference method is adopted with a real-time and amplification technique. Experimental results show that the interfacial concentration decreases significantly with increasing Re and is far from the equilibrium one in a larger Re range. Experiments validate the proposed model.

Measurement of Liquid Concentration Fields Near Interface with Cocurrent Gas-Liquid Flow Absorption Using Holographic Interferometry

Abstract Real-time laser holographic interferometry was applied to measure liquid concentrations of CO 2 in the vicinity of gas-liquid free interface under the conditions of cocurrent gas-liquid flow for absorption of CO 2 by ethanol. The influences of the Reynolds number on the measurable interface concentration and on the film thickness were discussed. The results show that CO 2 concentration decreases exponentially along the mass transfer direction, and the concentration gradient increases as Reynolds number of either liquid or gas increases. CO 2 concentrations fluctuate slightly along the direction of flow; on the whole, there is an increase in CO 2 concentration. The investigation also demonstrated that film thickness decreases with the increase of Reynolds number of either of the two phases. Sherwood number representing the mass transfer coefficient was finally correlated as a function of the hydrodynamic parameters and the physical properties.

Diffusion of Amino Acids in non-Newtonian Fluids

Abstract The amino acids are necessarily nutritious components, their diffusions in body fluid and blood that belong to typical non-Newtonian fluid are of virtual importance to control the diffusive process and help clinical treatment. In this article, a holographic interferometer has been adopted to measure the diffusivity of amino acids in non-Newtonian fluid with the use of real-time holographic interference technique. In order to prove the reliability of the experimental instrument, the diffusivities of sucrose aqueous solution at 298.15K were determined. The measured result displays a satisfactory accuracy of the apparatus used. Furthermore, the diffusion coefficients of glynine, L-serine, L-threonine and L-valine in polyacrylamide (PAM) aqueous solution at 298.15K were measured, respectively. The experimental data were fitted by a newly proposed correlation equation based on Lis predictive model. The calculating results by the present model are at considerably good agreement with experimental values, and the maximum average deviation is only 0.5%.