Eulerian modeling of reactive gas-liquid flow in a bubble column

Despite the widespread application of bubble columns and intensive research efforts devoted to understand their complex behavior, detailed knowledge on the fluid flow, mass transfer and chemical reactions as well as their interactions is currently very limited. Gas-liquid flow in bubble column reactors is characterized by a combination of inherently unsteady complex processes with widely varying spatial and temporal scales. The complicated interactions between the gas and the liquid phases comprising hydrodynamics, mass transfer and chemical reaction cause many challenging modeling problems to be solved. The Euler–Euler model is adopted throughout this thesis to investigate gas-liquid flow in bubble columns. In this study, efforts have been focused on the assessment of suitable closure laws for interfacial forces and for turbulence in the continuous phase. Furthermore, gas-liquid heterogeneous flow and reactive gas-liquid flows have been studied. All the numerical simulations were carried out with the commercial CFD package CFX-4.4 and all simulation results were compared with the available experimental PIV data of Deen (2001).

[1]  B. Geurts,et al.  Direct and large-eddy simulation IV , 2001 .

[2]  K. Westerterp,et al.  Chemical reactor design and operation , 1983 .

[3]  Ng Niels Deen,et al.  Numerical modeling of hydrodynamics, mass transfer and chemical reaction in bubble columns , 2007 .

[4]  Moh’d A. Al-Nimr,et al.  A THEORETICAL AND EXPERIMENTAL STUDY , 1996 .

[5]  H. F. Svendsen,et al.  Local flow structures in internal loop and bubble column reactors , 1992 .

[6]  R. Clift,et al.  Bubbles, Drops, and Particles , 1978 .

[7]  R. I. Issa,et al.  Modelling of dispersed bubble and droplet flow at high phase fractions , 2004 .

[8]  R. Carbonell,et al.  Coupling of hydrodynamics and chemical reaction in gas-lift reactors , 1999 .

[9]  Gerhart Eigenberger,et al.  Detailed modeling of the chemisorption of CO2 into NaOH in a bubble column , 1996 .

[10]  Mamoru Ishii,et al.  One-group interfacial area transport of bubbly flows in vertical round tubes , 2000 .

[11]  E. Delnoij,et al.  Fluid dynamics of gas-liquid bubble columns , 1999 .

[12]  M. Ishii.  Thermo-fluid dynamic theory of two-phase flow , 1975 .

[13]  Mamoru Ishii,et al.  One-group interfacial area transport in vertical bubbly flow , 1998 .

[14]  Djamel Lakehal,et al.  Large-eddy simulation of bubbly turbulent shear flows , 2002 .

[15]  Stelios Rigopoulos,et al.  A hybrid CFD: reaction engineering framework for multiphase reactor modelling: basic concept and application to bubble column reactors , 2003 .

[16]  R. Carbonell,et al.  Hydrodynamics of gas-lift reactors with a fast, liquid-phase reaction , 1999 .

[17]  Jam Hans Kuipers,et al.  Dynamic simulation of gas-liquid two-phase flow: effect of column aspect ratio on the flow structure. , 1997 .

[18]  J. Smagorinsky,et al.  GENERAL CIRCULATION EXPERIMENTS WITH THE PRIMITIVE EQUATIONS , 1963 .

[19]  Dieter Mewes,et al.  Interfacial area density in bubbly flow , 1999 .

[20]  I. Kataoka,et al.  Basic equations of turbulence in gas-liquid two-phase flow , 1989 .

[21]  G. Eigenberger,et al.  Simulation of Buoyancy Driven Bubbly Flow: Established Simplifications and Open Questions (Journal Review) , 2004 .

[22]  N. Zuber,et al.  Drag coefficient and relative velocity in bubbly, droplet or particulate flows , 1979 .

[23]  Y. Sato,et al.  Liquid velocity distribution in two-phase bubble flow , 1975 .

[24]  Ng Niels Deen,et al.  Numerical simulation of small bubble-big bubble-liquid three-phase flows , 2006 .

[25]  Milorad P. Dudukovic,et al.  Dynamic simulation of bubbly flow in bubble columns , 1999 .

[26]  G. Eigenberger,et al.  Multiscale modeling of hydrodynamics, mass transfer and reaction in bubble column reactors , 2001 .

[27]  Hallvard F. Svendsen,et al.  Modeling of Vertical Bubble-Driven Flows , 1997 .

[28]  M. Simonnet,et al.  Experimental determination of the drag coefficient in a swarm of bubbles , 2007 .

[29]  Robert F. Mudde,et al.  Two- and three-dimensional simulations of a bubble plume using a two-fluid model , 1999 .

[30]  A. K. Agrawal,et al.  Shape of liquid drops moving in liquid media , 1966 .

[31]  D. Juric,et al.  A front-tracking method for the computations of multiphase flow , 2001 .

[32]  Satoru Asai,et al.  Absorption of carbon dioxide into aqueous sodium hydroxide and sodium carbonate-bicarbonate solutions , 1976 .

[33]  Djamel Lakehal,et al.  Large-Eddy Simulation of Turbulent Shear Flows Laden with Bubbles , 2001 .

[34]  Rajamani Krishna,et al.  Gas holdup in bubble column reactors operating in the churn‐turbulent flow regime , 1996 .

[35]  Mamoru Ishii,et al.  DEVELOPMENT OF INTERFACIAL AREA TRANSPORT EQUATION , 2005 .

[36]  Yassin A. Hassan,et al.  A two-equation turbulence model of turbulent bubbly flows , 2001 .

[37]  K. Akita.  Diffusivities of gases in aqueous electrolyte solutions , 1981 .

[38]  Gerhart Eigenberger,et al.  Gas—liquid flow in bubble columns and loop reactors: Part II. Comparison of detailed experiments and flow simulations , 1994 .

[39]  A. D. Gosman,et al.  Multidimensional modeling of turbulent two‐phase flows in stirred vessels , 1992 .

[40]  D. M. Coulson,et al.  Ionization constants of water pollutants , 1976 .

[41]  Khellil Sefiane,et al.  3rd International Symposium on Two-phase Flow Modeling and Experimentation , 2004 .

[42]  I. Eames,et al.  The Motion of High-Reynolds-Number Bubbles in Inhomogeneous Flows , 2000 .

[43]  M. Rudman.  INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS, VOL. 24, 671–691 (1997) VOLUME-TRACKING METHODS FOR INTERFACIAL FLOW CALCULATIONS , 2022 .

[44]  Mamoru Ishii.  TWO-FLUID MODEL FOR TWO-PHASE FLOW , 1987 .

[45]  Dieter Mewes,et al.  A transport equation for the interfacial area density applied to bubble columns , 2001 .

[46]  Jam Hans Kuipers,et al.  Numerical simulation of the dynamic flow behavior in a bubble column : A study of closures for turbulence and interface forces , 2006 .

[47]  Steven Beyerlein,et al.  Prediction of bubble concentration profiles in vertical turbulent two-phase flow , 1985 .

[48]  Ng Niels Deen,et al.  Numerical simulation of gas bubbles behaviour using a three-dimensional volume of fluid method , 2005 .

[49]  David J. Jeffrey,et al.  Hydrodynamic interaction between gas bubbles in liquid , 1976, Journal of Fluid Mechanics.

[50]  Matthias Bauer,et al.  A concept for multi-scale modeling of bubble columns and loop reactors , 1999 .

[51]  Robert I. Nigmatulin,et al.  Spatial averaging in the mechanics of heterogeneous and dispersed systems , 1979 .

[52]  V. Canuto,et al.  Determination of the Smagorinsky–Lilly constant CS , 1997 .

[53]  Bjørn H. Hjertager.  Computational Fluid Dynamics (CFD) Analysis of Multiphase Chemical Reactors , 1997 .

[54]  Gian Piero Celata,et al.  Terminal velocity of single bubbles in surface tension force dominant regime , 2002 .

[55]  D. Drew,et al.  Theory of Multicomponent Fluids , 1998 .

[56]  Tron Solberg,et al.  Large eddy simulation of the Gas-Liquid flow in a square cross-sectioned bubble column , 2001 .

[57]  I. Zun,et al.  Effects of Eötvös Number and Dimensionless Liquid Volumetric Flux on Lateral Motion of a Bubble in a Laminar Duct Flow , 1995 .

[58]  Jam Hans Kuipers,et al.  Numerical investigation of closures for interface forces acting on single air-bubbles in water using volume and fluid and front tracking models , 2005 .

[59]  P. J. Mason,et al.  On the magnitude of the subgrid-scale eddy coefficient in large-eddy simulations of turbulent channel flow , 1986, Journal of Fluid Mechanics.

[60]  Mamoru Ishii,et al.  Modified two-fluid model for the two-group interfacial area transport equation , 2003 .

[61]  D. Darmana,et al.  Detailed modeling of hydrodynamics, mass transfer and chemical reactions in a bubble column using a discrete bubble model , 2005 .

[62]  Ryszard Pohorecki,et al.  Kinetics of reaction between carbon dioxide and hydroxyl ions in aqueous electrolyte solutions , 1988 .

[63]  Simon Lo,et al.  Modelling of droplet breakup and coalescence in an oil-water pipeline , 2007 .

[64]  Mamoru Ishii,et al.  Interfacial area transport equation: model development and benchmark experiments , 2002 .

[65]  Yu.A. Buyevich,et al.  Flow of dense suspensions , 1979 .

[66]  Rajamani Krishna,et al.  Three-phase Eulerian simulations of bubble column reactors operating in the churn-turbulent flow regime: A scale up strategy , 2000 .

[67]  John Newman,et al.  Vapor‐liquid equilibria in multicomponent aqueous solutions of volatile weak electrolytes , 1978 .