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Description of Reactingtwophaseeulerfoam Solver With A Focus On Mass Transfer Modeling Terms

This document describes a reactingTwoPhaseEulerFoam solver tutorial that models mass transfer and species transport during a water gas shift reaction in a 3D bubble column reactor. The tutorial involves a reacting gas (air and CO) and liquid water, with products of CO2, H2, and water vapor formed. It uses the Eulerian-Eulerian approach to model the multiphase flows and solves separate species transport equations. The tutorial aims to demonstrate modeling of reactive multiphase fluids involving reaction, heat and mass transfer between phases.

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VladJ
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143 views

Description of Reactingtwophaseeulerfoam Solver With A Focus On Mass Transfer Modeling Terms

This document describes a reactingTwoPhaseEulerFoam solver tutorial that models mass transfer and species transport during a water gas shift reaction in a 3D bubble column reactor. The tutorial involves a reacting gas (air and CO) and liquid water, with products of CO2, H2, and water vapor formed. It uses the Eulerian-Eulerian approach to model the multiphase flows and solves separate species transport equations. The tutorial aims to demonstrate modeling of reactive multiphase fluids involving reaction, heat and mass transfer between phases.

Uploaded by

VladJ
Copyright
© © All Rights Reserved
Available Formats
Download as PDF, TXT or read online on Scribd
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Description of

reactingTwoPhaseEulerFoam solver with


a focus on mass transfer modeling terms

Submitted by:
Thummala Phanindra Prasad,
Environmental Engineering Department,
Anadolu University of Technology,
Esksiehir, Turkey
This presentation is submitted as part of project work
for the course “CFD with Open Source Software” ,
taught by Prof.Hakan at Chalmers University of
Technology, Sweden

Submitted to:
Prof. Hakan Nilsson,
Department of Applied Mechanics,
Division of Fluid Dynamics, at Chalmers
University of Technology in Sweden.
Overview
 Mass Transfer process
 Overview of the code
 Species transport equation
 Tutorial
 Limitations
Mass transfer process

The main difference between heat and mass transfer processes is that at the
interface the temperature will remain same in both the phases but the
concentration varies . It can be determined from VLE curves or any other
equilibrium relations like Henry’s law, Saturation model law etc…
Overview of the Source code
 The source code of the solver is located at:
$FOAM_APP/solvers/multiphase/reactingEulerFoam/
reactingTwoPhaseEulerFoam/reactingTwoPhaseEul
erFoam.C
 Face momentum formulation (#include
pUf/createDDtU.H) is given in additional to
ccollocated momentum formulation.
 Currently it is not clear if this face-based
momentum equation formulation is preferable for
all Euler-Euler simulations (comment from
developers) and hence it must be activated explicitly
Overview of the Source code
 The facemomentum formulation can be
activated by explicitly specifying in PIMPLE
controls in casedirectory/system/fvsolution file
as follows:
Species transport equation
 In the reactingTwoPhaseEulerFoam.C file the
species transport equation is given by :
#include "YEqns.H”

 The location of this file can be found at:


$FOAM_APP/solvers/multiphase/reactingEulerFoam/
reactingTwoPhaseEulerFoam/YEqns.H

 The header file connects to an auto pointer where


the mass transfer rates table will be defined for the
given species:
autoPtr<phaseSystem::massTransferTable>
Species transport equation
 The definition of the auto pointer to mass transfer table can
be found at:
$FOAM_APP/solvers/multiphase/reactingEulerFoam/phaseSyst
ems/PhaseSystems/InterfaceCompositionPhaseChangePhaseS
ystem/InterfaceCompositionPhaseChangePhaseSystem.C

 Using the code in this file the amount of mass transfer of the
species/phase as a whole is calculated.

 The term referring to the mass transfer rate is given by dmdt.

 The definition of mass transfer involved in other phase


systems like HeatandMassTransferphasesystem and Thermal-
PhaseChangephasesystem is one and same like this.
Species transport equation
 The default available mass transfer models are :
Frossling and Spherical.
 Their definition can be found in:
$FOAM_APP/solvers/multiphase/reactingEulerFoam/
interfacialCompositionModels/massTransferModels
 The Frossling equation is given by:
Species transport equation
Even though we explicitly mention Sc number for
individual phases in phase properties file in case
directory/constant folder, the Sc (Schmidt number) in
Frossling mass transfer model implementation in
Open Foam is calculated from Prandtl Number(Pr)
and Lewis number(Le) as:
Sc= Le*Pr
Where the Le number is read from phase properties
in case directory/constant folder and Pr is calculated
from phase pair properties calculated from
phasepar.C file located at:
$FOAM_APP/solvers/multiphase/reactingEulerFoa
m/phaseSystems/phasePair/phasePair/phasePair.C
Species transport equation
The way the mass transfer coefficient is derived from
Sherwood number is bit tricky as explained here:
Let us define:
Rate of Mass transfer = RMT
mass transfer coefficient= MTC
interfacial area =ai
concentration gradient = dY
volume fraction of gas = αg
sauter diameter = Ds
diffusivity = Df
Then, RMT = MTC* ai * dY ------(1)
For any multiphase flow the interfacial area in a cell is
generally related to phase fraction as:
ai= 6 * αg / Ds --------(2)
Species transport equation
Combining (1) and (2) we get:
RMT = MTC *6* αg*dY / Ds --------(3)
The MTC is derived from Sh as: MTC = Sh*Df/Ds ----(4)
Combining (3) and (4) we get:
RMT = Sh * Df*6* αg*dY / Ds2 -------(5)
In the equation (5) , since the Df and dY are calculated as part of
solution, all the remaining terms are combined and calculated in the
MTC calculation it self and the MTC K() function returns :
6*Sh*αg/ Ds2
Hence, the same can be seen from the Frossling equation code as return
argument:
Species transport equation
 Similarly, the Spherical mass transfer coefficient is based upon the
assumption of laminar flow where Sh=10 and hence return
statement will be, by substituting Sh=10 in (5) :
60*αg/ Ds2
Species transport equation
 Once the mass transfer terms are calculated as described above, the
solution proceeds to source these dmdt term in the place
*massTransfer[Y1[i].name()] of the equation and proceed for
solving the equation of the code:

The left hand side of this equation is a species fraction equation which is
created depending upon the phase model that has been selected. For
example, if the phase model of gas is reactingPhaseModel then on
reading the command the OpenFoam creates the equations for all
individual species as described in:

$FOAM_APP/solvers/multiphase/reactingEulerFoam/phaseSystems/ph
aseModel/MultiComponentPhaseModel/MultiComponentPhaseModel.C
Species transport equation
Species transport equation
 The R(Yi) terms are contribution from reactive terms defined for
reacting mixture and accessed by reacting phase model at:
$FOAM_APP/solvers/multiphase/reactingEulerFoam/phaseSystems/p
haseModel/ReactingPhaseModel/ReactingEulerFoam.C

where the term "reaction_" term is a table of species, their reactions and
thermo information retrieved using "foamChemistryReader" key word
when reacting mixture is used as a phase.
The source term R(Yi) is calculated using combustion models available
for "rhoCombustionModel" setting through combustion properties.
They are called
upon when the fluid model (phase model) is "ReactingPhaseModel" as
defined in:
Species transport equation
 The source term R(Yi) is calculated using combustion models
available for "rhoCombustionModel" setting through combustion
properties.
 They R(Yi)are called upon when the fluid model (phase model) is
"ReactingPhaseModel" as defined in:
$FOAM_APP/solvers/multiphase/reactingEulerFoam/phaseSystems/p
haseModel/phaseModel/phaseModels.C
 The combustion model intern refers to the Chemistry model setting
which will be described in a seperate chemistry file corresponding
to the phase.
 The chemistry models will generate the source terms R(Yi) and feed
back to the species code. The details of the various chemistry
models and solvers for chemistry can be found at:
$FOAM_SRC/thermophysicalModels/chemistryModel/chemistry
Model/chemistryModel/chemistryModel.H
Tutorial
 For understanding the reactingTwoPhaseEulerFoam code let us use a
tutorial named bubbleColumnEvaporatingReacting tutorial located in
$FOAM_TUTORIALS folder
 To copy the tutorial type the following command:
cp -r
$FOAM_TUTORIALS/multiphase/reactingTwoPhaseEulerFoam/RAS/b
ubbleColumnEvaporatingReacting $FOAM_RUN
And open the tutorial directory:
cd $FOAM_RUN/bubbleColumnEvaporatingReacting
 The file structure is similar to any other standard tutorials and hence I’m
not introducing it explicitly
Tutorial
 Problem description:
This tutorial describes how to pre-process, run and post-process a
Water Gas Shift Reaction (WGSR)taking place in a 3D bubble
column reactor. The reacting fluids are reacting gas (AIR,CO) and
pure liquid water. The products formed were CO2 and H2 along with
water vapor. The flow of phases were modeled with Eulerian-Eulerian
Solver. Also, Separate species mass fraction transport equations were
solved for all the individual species involved:CO,H2O,AIR,CO2,H2.
The tutorial helps in understanding the modeling of multiphase
reactive fuids involving reaction, heat and mass transfer between
phases.
Tutorial
 Problem description:
The geometry consists of a 3D block with a 0.15x0.1 m2 base and a
length of 1m .The reactor is filled with water till height of 0.5m and
assumed to have 0.1% dissolved air. Air enters from the bottom inlet
at 0.1m/s. The system is initially assumed to be at 400K. The overall
reaction involved is:
Tutorial
 Boundary and initial conditions:
 The boundary conditions for the
bubbleColumnEvaporatingReacting tutorial are very simple.
All walls are modeled as adiabatic. The reacting gas enters
from the bottom of the column at a speed of 0.1m/s. The AIR
mass fraction in the inlet gas is 0.9 and that of CO is 0.1.
Tutorial
 The presence of water initially up to a height of 0.5m is declared by
using setFieldsDict (given in system folder) functionality as given
below:

Note:-For understanding the usage of setFieldsDict the user is


recommended to look into the OpenFoam basic damBreak tutorial
Tutorial
 The initial specie mass fraction for all the species over the entire
geometry field distribution can be found in the 0 folder file Ydefault file.
It can be observed that the values were set to 0.
 The Physical Properties:
In the /constant directory the properties files for chemistry,environmental,
combustion, reaction, combustion, RAS and thermophysical. All the
properties are thoroughly described in the Open-FOAM user guide and
are therefore not described here.
Tutorial
 The models specified in phaseProperties file will dictate the
interaction between phases. In the current case, the reactions
were confined to gas phase only and the liquid phase is
assumed to be a purephase.
 Also, the phases were assumed to be a combination of small
droplets (or bubbles) with fixed or variable diameters.
 The details of these diameter models are given in user guide
and hence are not discussed in detail here.
 Some important observations regarding phaseProperties file:
Tutorial
Tutorial
Tutorial
Tutorial
Tutorial
Tutorial
 The details of this method can be found in the file located at:
$FOAM_APP/solvers/multiphase/reactingEulerFoam/phaseSyste
ms/BlendedInterfacialModel/BlendedInterfacialModel.C
 where in which for this file the fuction weightage values f1 and
f2 are determined using blending methods.
 In our current case the method is linear and the files describing
this method and calculation of f1 and f2 are described in:
$FOAM_APP/solvers/multiphase/reactingEulerFoam/phaseSyste
ms/BlendedInterfacialModel/blendingMethods/linear/liner.C
 Remaining settings are similar to any other combustion tutorial
settings
 Retaining them as it is, we can run the case by initially typing
blockmesh command followed by
reactingTwoPhaseEulerFoam command
Tutorial
 Post processing is done in paraview opened by command
paraFoam.
 On completion of simulation the r CO distribution within the
bubble column will be as shown below:

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