Numerical and Experimental Study of Catalyst Loading and Body Effects on a Gas‐Liquid Trickle‐Flow Bed

The influence of tortuosity and fluid volume fractions on trickle‐flow bed performance was analyzed. Hydrodynamics of the gas‐liquid downward flow through trickle beds, filled with industrial trilobe catalysts, were investigated experimentally and numerically. The pressure drop and liquid holdup were measured at different gas and liquid velocities and in two different loading methods, namely, sock and dense catalyst loading. The effect of sharp corners on hydrodynamic parameters was considered in a bed with rectangular cross section. The reactor was simulated, considering a three‐phase model, appropriate porosity function, and interfacial forces based on the Eulerian‐Eulerian approach. Computational fluid dynamics (CFD) simulation results for pressure drop and liquid holdup agreed well with experimental data. Finally, the velocity distribution in two types of loading and the effect of bed geometry in CFD results demonstrated that pressure drop and liquid holdup were reduced compared to a cylindrical one due to high voidage at sharp corners.     

Turbulence modelling of multiphase flow in high-pressure trickle-bed reactors

Computational fluid dynamics (CFD) has been used as a successful tool for single-phase reactors. However, fixed-bed reactors design depends overly in empirical correlations for the prediction of heat and mass transfer phenomena. Therefore, the aim of this work is to present the application of CFD to the simulation of three-dimensional interstitial flow in a multiphase reactor. A case study comprising a high-pressure trickle-bed reactor (30 bar) was modelled by means of an Euler-Euler CFD model. The numerical simulations were evaluated quantitatively by experimental data from the literature. During grid optimization and validation, the effects of mesh size, time step and convergence criteria were evaluated plotting the hydrodynamic predictions as a function of liquid flow rate. Among the discretization methods for the momentum equation, a monotonic upwind scheme for conservation laws was found to give better computed results for either liquid holdup or two-phase pressure drop since it reduces effectively the numerical dispersion in convective terms of transport equation.After the parametric optimization of numerical solution parameters, four RANS multiphase turbulence models were investigated in the whole range of simulated gas and liquid flow rates. During RANS turbulence modelling, standard k-ε dispersed turbulence model gave the better compromise between computer expense and numerical accuracy in comparison with both realizable, renormalization group and Reynolds stress based models. Finally, several computational runs were performed at different temperatures for the evaluation of either axial averaged velocity and turbulent kinetic energy profiles for gas and liquid phases. Flow disequilibrium and strong heterogeneities detected along the packed bed demonstrated liquid distribution issues with slighter impact at high temperatures.     

Numerical simulation of reactive pulsing flow for the catalytic wet oxidation in TBR using a VOF technique

Guided by the intrinsic advantages of the dynamic nature of mass/heat transfer fluctuations in pulsing flow, here we performed volume‐of‐fluid (VOF) numerical simulations to evaluate how liquid flow modulations can improve the detoxification of liquid effluents by catalytic wet oxidation. First, prominent numerical parameters were optimized in terms of mesh aperture and time step. Second, the effect of oxidation temperature and the influence of gas and liquid flow rates have been investigated comparatively under different flow regimes. The VOF computations have correctly handled the experimental observations both in terms of the axial conversion and temperature. The increase of oxidation temperature was found to move the trickling and pulsing intersection point on the conversion toward the top of the trickle bed. Finally, in comparison with trickling flow regimes, these computed and experimental findings revealed a considerable improvement on the detoxification of organic matter highlighting the benefits of process intensification covered by the periodic liquid flow modulations. © 2011 American Institute of Chemical Engineers AIChE J, 2012     

Process intensification of gas–liquid downflow and upflow packed beds by a new low‐shear rotating reactor concept

In the present work, a new low‐shear rotating reactor concept was introduced for process intensification of heterogeneous catalytic reactions in cocurrent gas–liquid downflow and upflow packed‐bed reactors. To properly assess potential advantages of this new reactor concept, exhaustive hydrodynamic experiments were carried out using embedded low‐intrusive wire mesh sensors. The effect of the rotational velocity on liquid flow patterns in the bed cross‐section, liquid saturation, pressure drop, and regime transition was investigated. Furthermore, liquid residence time and Péclet number estimated by a stimulus‐response technique and a macro‐mixing model were presented and discussed with respect to the prevailing flow patterns. The results revealed that the column rotation induces different flow patterns in the cross‐section of the packed bed operating in a concurrent downflow or upflow mode. Moreover, the new reactor concept exhibits a more flexible adjustment of pressure drop, liquid saturation, liquid residence time, and back‐mixing at constant flow rates. © 2016 American Institute of Chemical Engineers AIChE J, 63: 283–294, 2017     

Computational Fluid Dynamics Modeling of Gas‐Liquid Two‐Phase Flow around a Spherical Particle

Microscale studies, which can provide basic information for meso‐ and macroscale studies, are essential for the realization of flow characteristics of a packed bed. In the present study, the effects of gas velocity, liquid velocity, liquid‐solid contact angle, and liquid viscosity on the flow behavior were parametrically investigated for gas‐liquid two‐phase flow around a spherical particle, using computational fluid dynamics (CFD) methodology in combination with the volume‐of‐fluid (VOF) model. The VOF model was first validated and proved to be in good agreement with the experimental data. The simulation results show that the film thickness decreases with increasing gas velocity. This trend is more obvious with increasing operating pressure. With increasing liquid velocity, the film thickness tends to be uniform on the particle surface. The flow regime can change from film flow to transition flow to bubble flow with increasing contact angle. In addition, only at relatively high values does the liquid viscosity affect the residence time of the liquid on the particle surface.     

Multiphase reacting flow studies of bubble column ozonation reactor for water remediation

A multiphase Volume‐of‐fluid (VOF) model was developed to gain further insights into the reactive flow parameters and electrical capacitance tomography (ECT) measurements on the remediation of hazardous organic pollutants. Low ozone bubble frequencies were obtained for high surface tension fluids, and the liquid viscosity affected the ozone bubbling frequency. The VOF model indicated that the increase of inlet gas velocity enriched the ozone bubble detachment and concomitantly generated larger ozone bubbles, decreasing the detoxification rates. VOF mappings and ECT visualizations of gas‐liquid unveiled preferential routes and highlighted the attenuation of the axisymmetric behavior of the ozonation bubble column under high‐interaction regimes.     

3‐D full‐loop simulation of an industrial‐scale circulating fluidized‐bed boiler

Three‐dimensional (3‐D) simulations using an Eulerian multiphase model were employed to explore flow behaviors in a full‐loop industrial‐scale CFB boiler with and without fluidized‐bed heat exchanger (FBHE), where three solids phases were employed to roughly represent the polydisperse behavior of particles. First, a simulation of the boiler without FBHE is implemented to evaluate drag models, in terms of pressure profiles, mixing behaviors, radial velocity profiles, etc. Compared to the conventional model, the simulation using the energy‐minimization multiscale (EMMS) model successfully predicts the pressure profile of the furnace. Then, such method is used to simulate the boiler with FBHE. The simulation shows that solid inventory in the furnace is underpredicted and reduced with an increase of the valve opening, probably due to the underevaluated drag for FBHE flows. It is suggested to improve EMMS model which is now based on a single set of operating parameters to match with the full‐loop system. © 2012 American Institute of Chemical Engineers AIChE J, 59: 1108–1117, 2013     

CFD modeling and validation of the turbulent fluidized bed of FCC particles

An experimental and computational study is presented on the hydrodynamic characteristics of FCC particles in a turbulent fluidized bed. Based on the Eulerian/Eulerian model, a computational fluid dynamics (CFD) model incorporating a modified gas‐solid drag model has been presented, and the model parameters are examined by using a commercial CFD software package (FLUENT 6.2.16). Relative to other drag models, the modified one gives a reasonable hydrodynamic prediction in comparison with experimental data. The hydrodynamics show more sensitive to the coefficient of restitution than to the flow models and kinetics theories. Experimental and numerical results indicate that there exist two different coexisting regions in the turbulent fluidized bed: a bottom dense, bubbling region and a dilute, dispersed flow region. At low‐gas velocity, solid‐volume fractions show high near the wall region, and low in the center of the bed. Increasing gas velocity aggravates the turbulent disorder in the turbulent fluidized bed, resulting in an irregularity of the radial particle concentration profile. © 2009 American Institute of Chemical Engineers AIChE J, 2009     

Evaluation of multiphase CFD models in gas–liquid packed-bed reactors for water pollution abatement

The present work encompasses an assessment of multiphase fluid modelling techniques to allow the prediction of reaction parameters in trickle-bed reactors (TBR). After the development of volume-of-fluid (VOF) and an Euler–Euler models, the catalytic wet air oxidation of phenolic acids was simulated under unsteady state evaluating axial and radial profiles for total organic carbon concentration and temperature for the bulk phase.For the purpose of code validation, theoretical results were compared with experimental data in terms of major hydrodynamic parameters, pressure drop and liquid holdup. The Euler–Euler model gave better predictions in comparison with VOF model since it used empirically based interphase coupling parameters in the momentum balance equation.After the hydrodynamic validation, both multiphase models were used to investigate the dynamic performance of TBR under reaction conditions for the pollutant decontamination of phenolic wastewaters. VOF exhibited the highest TOC conversion as well as the highest temperatures. The Euler–Euler model predictions gave rise also to the existence of hotspot formation in the first half of TBR being this fact related with poor radial mixing attained by means of CFD codes.     

Particle Holdup Profiles in Horizontal Gas‐liquid‐solid Multiphase Flow Pipeline

Sand holdup is one of the most important hydrodynamic parameters that is needed for performance estimation, design, operation and control of oil‐gas‐sand multiphase production and pipeline transportation systems. The performance of oil‐gas‐sand multiphase flow can be reliably evaluated by measuring the sand holdup in such oil‐gas‐sand multiphase production and pipeline transportation systems. In the present work, a local sand holdup has been measured under conditions analogous to the horizontal oil‐gas‐sand three‐phase slug flow in pipelines. Accurate local sand particle holdup measurements were performed by the digital imaging technique. The results revealed the influence of operating conditions such as gas and liquid velocities and sand particle loading on the distribution of the local sand particle holdup in the horizontal air‐water‐sand multiphase slug flow pipe. Explanations for the observed trends are provided, shedding light on the general structures and mechanisms of the distribution of the local sand holdup in a horizontal oil‐gas‐sand three‐phase slug flow. Such information on the horizontal air‐water‐sand three‐phase slug flow mechanisms are essential to advance the mechanistic approach for predicting local sand holdup distribution and the subsequent effect on sand deposition during multiphase petroleum production and transfer operations.     

The Use of the VOF‐Model to Study the Wetting of Solid Surfaces

The laminar liquid rivulet flow on an inclined flat metal plate and wavy metal plate is taken as a test case to validate the CFD‐simulation results using the VOF (Volume of Fluid) multiphase flow model. The local rivulet thickness was measured using an optically assisted mechanical sensor and compared with the simulation results. The circular shape of the rivulet profile has been proven for an inclined plate. Glycerin water mixtures with different concentrations were used in the experiments. Two theoretical models to describe this laminar rivulet flow in comparison to the experimental and CFD results are discussed.     

Magnetic emulation of microgravity for earth‐bound multiphase catalytic reactor studies—Potentialities and limitations

A method is proposed to generate Earth‐bound artificial microgravity in a controlled facility capable of emulating lunar/Martian gravity or microgravity for experiments on passive/reactive catalytic multiphase flows. Its applicability was illustrated for trickle beds where flowing gas and liquid experience artificial microgravity inside the bore of a superconducting magnet generating large gradient magnetic fields to compensate for gravity. Artificial gravity is realized by commuting into apparent gravity acceleration the magnetization force at work on common “chemical engineering” non‐magnetic fluids. The scaling property to be matched and maintained invariant in multiphase systems to achieve magnetic mimicry is phasic mass magnetic susceptibility. Hydrodynamic (liquid holdup, wetting efficiency, pressure drop) as well as catalytic reaction (conversion and selectivity) measurements were obtained. The main finding is a proof that magnetic fields affect reactor outcomes exclusively via hydrodynamic phenomena making them appealing proxies for emulating non‐terrene reactor applications. © 2009 American Institute of Chemical Engineers AIChE J, 2009     

Correlating gas–liquid co‐current flow hydrodynamics in packed beds using the F‐function concept

A phenomenological model based on the generalization of the single‐phase Forchheimer equation was recently proposed for predicting pressure drop and phase saturations in gas–liquid co‐current horizontal and downward high‐pressure packed beds. Here, we extend the model to packed‐bubble (co‐current upflow) and trickle‐bed operation using phase saturation power laws similar to Corey relative permeabilities. The power‐law exponents were fitted using a wide pressure gradient and liquid saturation databank in co‐current up/downward packed‐bed flows. It was found that this approach, as well as other in the literature developed for down‐flow reactors apply also to upward flows; the prediction accuracy was comparable for both flow directions to existing literature approaches. Copyright © 2004 Society of Chemical Industry     

Hydrodynamics of inclined packed beds under flow modulation ‐ CFD simulation and experimental validation

A three‐dimensional unsteady‐state Eulerian multi‐fluid CFD model was developed to simulate the hydrodynamic behavior of inclined gas‐liquid cocurrent downflow packed beds under ON‐OFF liquid, ON‐OFF gas, and gas/liquid alternating cyclic operations. Validation of the CFD simulation results was performed with experimental data provided by electrical capacitance tomography imaging. Incorporation in the Eulerian multifluid CFD model of capillary pressure and mechanical dispersion force was essential to accurately capture the transient spatial heterogeneities arising in tilted packed beds under different cyclic modulation strategies. The applied CFD model was able to satisfactorily predict the values of liquid holdup and pressure drop as well as the morphological characteristics of the traveling waves inside the bed for the examined flow modulations. © 2017 American Institute of Chemical Engineers AIChE J, 63: 4161–4176, 2017     

Parallel hydrogenation for the quantification of wetting efficiency and liquid–solid mass transfer in a trickle‐bed reactor

A novel method for the measurement of wetting efficiency in a trickle‐bed reactor under reaction conditions is introduced. The method exploits reaction rate differences of two first‐order liquid‐limited reactions occurring in parallel, to infer wetting efficiencies without any other knowledge of the reaction kinetics or external mass transfer characteristics. Using the hydrogenation of linear‐ and isooctenes, wetting efficiency is measured in a 50‐mm internal diameter, high‐pressure trickle‐bed reactor. Liquid–solid mass transfer coefficients are also estimated from the experimental conversion data. Measurements were performed for upflow operation and two literature‐defined boundaries of hydrodynamic multiplicity in trickle flow. Hydrodynamic multiplicity in trickle flow gave rise to as much as 10% variation in wetting efficiency, and 10–20% variation in the specific liquid–solid mass transfer coefficient. Conversions for upflow operation were significantly higher in trickle‐flow operation, because of complete wetting and better liquid–solid mass transfer characteristics. © 2010 American Institute of Chemical Engineers AIChE J, 2011.     

Artificial Neural Network Modeling of Hydrodynamics of Liquid‐Solid Circulating Fluidized Beds

Solids holdup and solids circulation rate are the two important hydrodynamic variables affected by process conditions. These two variables have a significant influence on the performance of a liquid‐solid circulating fluidized bed (LSCFB). An artificial neural network (ANN) methodology was developed and simulated to predict the performance of the LSCFB for the experimental dataset collected under various process conditions. Different statistical parameters were applied to evaluate the prominent and unique characteristic features of the ANN‐predicted parameters. The ANN model successfully predicted the experimental observations and captured the actual nonlinear behavior noticed during the experiments. Model validation confirmed that this data‐driven technique can be used to model such nonlinear systems.     

Two‐Phase Sequential Simulation of a Fluidized Bed Reformer

A two‐phase flow model is adapted in order to predict the performance of a fluidized bed reformer using the sequential modular simulator. Since there are physical and chemical phenomena interacting in the reformer, two sub‐models appear to be necessary to describe the overall model. These are the hydrodynamic and reaction sub‐models. The hydrodynamic sub‐model is based on the dynamic two‐phase model and the reaction sub‐model is derived from the literature. In the overall model, the bed is divided into several sections. At each section, the flow of the gas is considered as plug flow through the bubble phase and to be perfectly mixed through the emulsion phase. Two sets of experimental data from the literature at different hydrodynamic regimes were used in order to validate the proposed model. A close agreement was observed between the model predictions and the experimental data. The model proposed in this work may be used as a framework for the development of sophisticated models for non‐ideal reactors inside process simulators.     

Toward Understanding of Two‐Phase Eccentric Helical Reactor Performance

Mass transfer investigations in a two‐phase gas‐liquid Couette‐Taylor flow (CTF) reactor and a numerical flow simulation are reported. The CTF reactor is characterized by high values of the mass transfer parameters. Previous mass transfer investigations have yielded high values of the volumetric mass transfer coefficients (of the order of 10^–1 s^–1) and the specific interfacial area, compared to those obtained in a stirred tank (10³ m² m^–3). In order to intensify mass transfer in the CTF reactor, an eccentric rotor (rotating inner cylinder) was used. In the eccentric annulus with rotating inner cylinder, due to frequent variation of the hydrodynamic flow field parameters, nonlinear hydrodynamic conditions occurred. These conditions can influence the rate of mass transfer. The experimental results of benzaldehyde oxidation in an eccentric CTF reactor confirmed an increase in mass transfer, as against a concentric CTF reactor. Numerical simulation of the Couette‐Taylor (helical) flow was performed in a concentric and in an eccentric annulus. Calculation of parameters such as velocity, static pressure, kinetic energy and energy dissipation rate revealed a significant effect of gap eccentricity on the flow behavior.     

Three‐dimensional simulations of gas‐liquid cocurrent downflow in vertical,inclined, and oscillating packed beds

The hydrodynamic behavior of gas‐liquid downflow in vertical, inclined, and oscillating packed beds related to offshore floating applications was analyzed by means of three‐dimensional unsteady‐state two‐fluid simulations. Angular oscillations of the column between two angled symmetrical positions and between vertical and inclined position were considered while bed non‐uniformity was described using radial porosity distributions. For vertical and slightly inclined columns, two‐phase flow was concentrated in the core area of the bed. However, the two‐phase flow was predicted to deviate significantly from axial symmetry at higher inclinations with prominent liquid accumulation in the bottommost reactor cross‐sectional area. Oscillating packed beds unveiled complex reverse secondary flows radially and circumferentially resulting in oscillatory patterns of liquid holdup and pressure drop whose amplitude and propagation frequency were affected by column inclination angle and travel time between vertical and angled positions. © 2015 American Institute of Chemical Engineers AIChE J, 62: 916–927, 2016     

Hydrodynamic characterisation of liquid–solid two–phase fluidised beds: Vibration signature and pressure fluctuations analyses

Hydrodynamic behaviour of a two–phase liquid–solid fluidised bed was investigated over a wide range of liquid velocities by means of simultaneous vibration and pressure fluctuations analyses. The liquid velocities were set in a way that covered two most important hydrodynamic events in the bed, namely minimum fluidisation and circulating‐solid regime. To prevent solids from being carried out of the bed, the maximum liquid velocity was kept lower than the terminal velocity of solids. Statistical analysis on the vibration signatures of bed shell proved to be a strong representative for minimum fluidisation characterisation and solid regime change. The minimum fluidisation velocity can be obtained from the intersection of two linear parts in the standard deviation of vibration fluctuation signals. Moreover, the kurtosis of vibration signals could predict the minimum fluidisation and approximate solid regime transition successfully. Meanwhile, statistical parameters, such as standard deviation, skewness, and kurtosis as well as newly‐introduced parameters, namely the energy and average cycle frequency of pressure signals, determined both of minimum fluidisation condition and circulating‐solid flow regime. © 2011 Canadian Society for Chemical Engineering