Modelling of a dynamic multiphase flash: the positive flash. Application to the calculation of ternary diagrams

A general and polyvalent model for the dynamic simulation of a vapor, liquid, liquid-liquid, vapor-liquid or vapor-liquid-liquid stage is proposed. This model is based on the -method introduced as a minimization problem by Han & Rangaiah (1998) for steady-state simulation. They suggested modifying the mole fraction summation such that the same set of governing equations becomes valid for all phase regions. Thanks to judicious additional switch equations, the -formulation is extended to dynamic simulation and the minimization problem is transformed into a set of differential algebraic equations (DAE). Validation of the model consists in testing its capacity to overcome phase number changes and to be able to solve several problems with the same set of equations: calculation of heterogeneous residue curves, azeotropic points and distillation boundaries in ternary diagrams

CFD Modeling on Hydrodynamic Characteristics of Multiphase Counter-Current Flow in a Structured Packed Bed for Post-Combustion CO\u3csub\u3e2\u3c/sub\u3e Capture

Solvent-based post combustion CO2 capture is a promising technology for industrial application. Gas-liquid interfaces and interactions in the packed bed are considered one of the key factors affecting the overall CO2 absorption rate. Understanding the hydrodynamic characterizations within packed beds is essential to identify the appropriate enhanced mass transfer technique. However, multiphase counter-current flows in the structured packing typically used in these processes are complicated to visualize and optimize experimentally. In this paper, we aim to develop a comprehensive 3D multiphase, counter-current flow model to study the liquid/gas behavior on the surface of structured packing. The output from computational fluid dynamics (CFD) clearly visualized the hydrodynamic characterizations, such as the liquid distributions, wettability, and film thicknesses, in the confined packed bed. When the liquid We (Weber number) was greater than 2.21, the channel flow became insignificant and flow streams became more disorganized with more droplets at larger sizes. The portion of dead zones is decreased at higher liquid We, but it cannot be completely eliminated. Average film thickness was about 0.6–0.7 mm, however, its height varied significantly

CFD MODELING OF MULTIPHASE COUNTER-CURRENT FLOW IN PACKED BED REACTOR FOR CARBON CAPTURE

Packed bed reactors with counter-current, gas-liquid flows have been considered to be applicable in CO2 capture systems for post-combustion processing from fossil-fueled power production units. However, the hydrodynamics within the packing used in these reactors under counter-current flow has not been assessed to provide insight into design and operational parameters that may impact reactor and reaction efficiencies. Hence, experimental testing of a laboratory-scale spherical ball, packed bed with two-phase flow was accomplished and then a meso-scale 3D CFD model was developed to numerically simulate the conditions and outcomes of the experimental tests. Also, the hydrodynamics of two-phase flow in a packed bed with structured packing were simulated using a meso-scale, 3D CFD model and then validated using empirical models. The CFD model successfully characterized the hydrodynamics inside the packing, with a focus on parameters such as the wetted surface areas, gas-liquid interactions, liquid distributions, pressure drops, liquid holdups, film thicknesses and flow regimes. The simulation results clearly demonstrated the development of and changes in liquid distributions, wetted areas and film thicknesses under various gas and liquid flow rates. Gas and liquid interactions were observed to occur at the interface of the gas and liquid through liquid entrainment and droplet formation, and it became more dominant as the Reynolds numbers increased. Liquid film thicknesses in the structured packing were much thinner than in the spherical ball packing, and increased with increasing liquid flow rates. Gas flow rates had no significant effect on film thicknesses. Film flow and trickle flow regimes were found in both the spherical ball and structured packing. A macro-scale, porous model was also developed which was less computationally intensive than the meso-scale, 3D CFD model. The macro-scale model was used to study the spherical ball packing and to modify its closure equations. It was found that the Ergun equation, typically used in the porous model, was not suitable for multi-phase flow. Hence, it was modified by replacing porosity with the actual pore volume within the liquid phase; this modification successfully accounted for liquid holdup which was predicted via a proposed equation

Mass transfer and liquid hold-up determination in structured packing by CFD

Mass transfer and liquid hold-up in structured packing geometry are investigated using the volume of fluid method. Numerical simulations of two-dimensional co-current gas–liquid flow on structured packing with interfacial mass transfer are performed. The volume of fluid method is used to capture the gas–liquid interface motion. The mass transfer is computed by solving the concentration equation with an adapted modeling of the solubility (Haroun et al., 2010b). The liquid hold-up and the mass transfer are studied as function of liquid flow rate and structured packing geometry. Results show how the liquid flow rate and the complex geometry affect the liquid film flow topology and the interfacial mass transfer. For a specified packing geometry, it is demonstrated that for low liquid flow rate, the liquid film remains uniform and follow closely the profile of the structured wall. For uniform liquid film flow along packing wall, it is found that the liquid hold-up is in good agreement with the model proposed by Billet and Schultes (1999) and Raynal and Royon-Lebeaud (2007). When increasing the liquid flow rate, the liquid film does not follow the shape of the structured wall anymore, a static hold- up (recirculation zone) form in the cavities and grows as the Reynolds number increases until covering most of the packing cavities. The present work gives the liquid hold-up evolution for each liquid film flow regime according to the Reynolds number and the dimensionless amplitude of the corrugation. Concerning the liquid side mass transfer, it is found that the liquid side mass transfer is well predicted by the Higbie (1935) theory provided that adequate velocity and length scales are considered for exposure time determination. The exposure time of fluid element at the interface corresponds to the ratio between the curvilinear distance between two periodic corrugation contact point and the interface velocity. An exposure time model is proposed taking into the account physical and geometric parameters

Analysis of homogeneous film flows on inclined surfaces and on corrugated sheet of packing using CFD

The key to success in separation of liquid mixtures is the efficient creation and utilization of vapour-liquid contact area. By packing the column with gas-liquid contact devices such as structured packing, the vapour-liquid contact area can be increased. However, the efficiency of these packed columns depends strongly on the local flow behaviour of the liquid and vapour phase inside the packing. The aim of this work was to develop three-dimensional CFD models to study the hydrodynamic behaviour on the corrugated sheets of packing. Different approaches are possible to simplify the problem and to extend it for more complex flow scenarios. In this work, three-dimensional CFD simulations were performed to study the complete fluid-dynamic behaviour. This was performed in two steps. As a first step, the developed model was validated with experimental studies using a simplified geometry i.e., an inclined plate. The three-dimensional Volume-of-Fluid (VOF) model was utilized to study the flow behaviour of the gas-liquid countercurrent flow. The influence of the liquid surface tension was taken into consideration using the Continuum Surface Force (CSF) model. The wetting characteristics of liquids with different viscosity (1 and 5 mPas) and contact angle (70° and 7°) were studied for different flow rates. Three different mixtures (water, water-glycerol (45 wt. %) and silicon-oil (DC5)) were considered. Initially, the rivulet width of experiments and simulations were compared and an error of 5 % maximum was determined. The results were also in good agreement with earlier studies. The percentage of wetting due to changes in flow rate, viscosity and contact angle was compared and discussed. For all tested systems, excellent agreement between the experiments and simulation studies was found. In addition, profiles of the velocity in the film at film flow conditions over a smooth inclined plate obtained from simulations were compared with experimental profiles obtained using a μPIV technique. A detailed sensitivity study was also performed in order to understand the changes in the velocity profiles due to small change in liquid flow rate, temperature and inclination angle. As a next step, the developed model was extended to geometries resembling real corrugated sheets of packing used in industrial applications. In earlier numerical studies of structured packing, geometries were simplified to enable easy meshing and faster computation. In this work, the geometries of corrugated sheets of packing were developed without any simplification and the flow behaviour was studied using the model validated in the first step. The flow behaviour on sheets with different geometrical modifications such as smooth and triangular crimp surfaces as well as perforations on the sheets were numerically studied and quantitatively compared with experimental studies for the three different fluid test systems. The agreement between the simulations and experiments was within an acceptable range for all system. The difference in the interfacial area between the corrugated sheets of a packing with and without perforation was analyzed and the prediction ability of different empirical correlations for the interfacial area available in literature was also compared and discussed. Furthermore, the numerical study was extended to understand the influence of the second corrugated sheet. Studying the flow behaviour between two sheets experimentally is very challenging, especially inside opaque packing. The model proved to be a very suitable tool to study the hold-up of the liquid between two sheets, the change in wetting behaviour due to small change in liquid inlet position. The results are also in good agreement with the earlier experimental studies, where researchers measured the liquid hold-up mainly in the region where two corrugated sheets touch each other. The three-dimensional CFD model was validated to study the flow behaviour on corrugated sheets of packing. The results from the simulations agree very well with findings from the experimental studies in terms of wetting and hold-up

Direct effect of solvent viscosity on the physical mass transfer for wavy film flow in a packed column

The interphase mass transfer plays a critical role in determining the height of packed column used in absorption process. In a recent experiments2, the direct impact of viscosity on the physical mass transfer coefficient was observed to be higher in a packed column as compared to the wetted wall column. We offer a plausible mechanism involving the wavy film and eddy enhanced mass transfer in a packed column to explain underlying physics via analytical and numerical studies. The analytically derived mass transfer coefficient matches well with experimental observation in a packed column. The countercurrent flow simulations in a packed column with both uniform and wavy films also confirm this behavior. The predicted k_L shows steep variation with for a wavy film than a uniform film, further confirms the proposed theory. A similar relation for a wavy film is also observed in theoretical, experimental and numerical studies

Flow Regime Transition in Countercurrent Packed Column Monitored by ECT

Vertical packed columns are widely used in absorption, stripping and distillation processes. Flooding will occur in the vertical packed columns as a result of excessive liquid accumulation, which reduces mass transfer efficiency and causes a large pressure drop. Pressure drop measurements are typically used as the hydrodynamic parameter for predicting flooding. They are, however, only indicative of the occurrence of transition of the flow regime across the packed column. They offer limited spatial information to mass transfer packed column operators and designers. In this work, a new method using Electrical Capacitance Tomography (ECT) is implemented for the first time so that real-time flow regime monitoring at different vertical positions is achieved in a countercurrent packed bed column using ECT. Two normalisation methods are implemented to monitor the transition from pre-loading to flooding in a column of 200 mm diameter, 1200 mm height filled with plastic structured packing. Liquid distribution in the column can be qualitatively visualised via reconstructed ECT images. A flooding index is implemented to quantitatively indicate the progression of local flooding. In experiments, the degree of local flooding is quantified at various gas flow rates and locations of ECT sensor. ECT images were compared with pressure drop and visual observation. The experimental results demonstrate that ECT is capable of monitoring liquid distribution, identifying flow regime transitions and predicting local flooding.Comment: This is a draft paper of an article submitted to CEJ - Chemical Engineering Journa

Investigating the Advantages and Limitations of Modeling Physical Mass Transfer of CO2 on Flat Plate by One Fluid Formulation in OpenFOAM

One fluid formulation is an approach used for modeling and analysis of mass transfer between two immiscible phases. In this study we implement and analyze the advantages and limitations of this approach for CO2 physical mass transfer into MEA. The domain is a flat plate and gas liquid flow is counter current. The analysis was carried for operating parameters like liquid phase Reynolds number, MEA mass fraction and the angle of inclination of flat plate. The results clearly show that the model effectively captures the deviation in liquid side mass transfer coefficient due to the surface instabilities and liquid properties which are generally neglected by standard correlations. Also the model shows that the standard Higbie correlation is preferable at low Reynolds number at any angle of inclination. The grid independent studies show that a size of 6.25 µm is required in the interface region for effectively using this approach. The computational resource time at this resolution was found as the only limitation for using this approach and we suggest a procedure to overcome this limitation. The present simulation results can help CFD researchers investigating immiscible gas-liquid mass transfer using OpenFOAM

Process equipment modeling using the moment method

Process equipment models are needed in all stages of chemical process research and design. Typically, process equipment models consist of systems of partial differential equations for mass and energy balances and complicated closure models for mass transfer, chemical kinetics, and physical properties. The scope of this work is further development of the moment method for modeling applications that are based on the one-dimensional axial dispersion model. This versatile model can be used for most process equipment, such as chemical reactors, adsorbers and chromatographic columns, and distillation and absorption columns. The moment method is a numerical technique for partial differential equations from the class of weighted residual methods (WRM). In this work it is shown with examples how the moment method can be applied to process equipment modeling. The examples are: catalyst activity profiles in fixed-bed reactors, dynamic modeling of chemical reactors and fixed-bed adsorbers with axial dispersion, and steady-state and dynamic modeling and simulation of continuous contact separation processes with or without axial dispersion. An innovative field of application of the moment method is continuous-contact separation processes. The advantage of the moment method, compared to the state-of-the-art nonequilibrium stage model, is that the same level of numerical accuracy can be achieved with fewer variables. In addition, the degree of axial dispersion can be controlled precisely since only physical axial dispersion is introduced via the axial dispersion coefficient. When using axial dispersion models, special attention has to be paid to the boundary conditions. Using the moment transformation it is shown that the Danckwerts boundary conditions are appropriate for time-dependent models in closed-closed geometries. An advantage of the moment method, compared to other weighted residual methods such as orthogonal collocation on finite elements, is the ease with which boundary conditions are specified. The boundary conditions do not arise as additional algebraic equations. Instead, they simply appear as additive source terms in the moment transformed model equations. The second part of this thesis deals with the detailed closure models that are needed for process modeling. Relevance of some of the closure models is scrutinized in particular with two test cases. The first test case is gas-liquid mass transfer coefficients in trickle-bed reactors. It is shown that the correlation of Goto and Smith is appropriate for gas-liquid mass transfer coefficients in industrial trickle-bed reactors. The second test case is vapor-liquid equilibrium model parameters for binary systems of trans-2-butene and cis-2-butene and five alcohols. The Wilson model parameters for all binary systems are fitted against measurements with a total pressure apparatus. The measured pressure-composition profiles are compared against predictions by the UNIFAC and UNIFAC-Dortmund methods

Industrial Radiotracer Technology for Process Optimizations in Chemical Industries – A Review

Radioisotope techniques are constantly and extensively used all over the world as a method to identify process systems malfunctions in various industries without requiring the shut down of the processing plant thus leading to high economical benefits to the plant owner. Different aspects of industrial radiotracer technology for troubleshooting, process control and optimization are evaluated through an exhaustive literature survey. The review covers the advantages of radiotracers, most commonly used radiotracers in industry for specific studies, applications of radiotracer techniques in various chemical industries, the design of radiotracer technology experiments, radiation detection and data acquisition in radiotracer technology as well as radiological safety aspects. Two industrial radiotracer techniques of residence time distribution (RTD) measurements and radioactive particle tracking (RPT) are discussed. The design of radiotracer technology experiments are also divided into two categories - radioactive particle tracking applications and residence time distribution applications