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minimal laakkonen case #42

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30 changes: 30 additions & 0 deletions OFsolvers/tutorial_cases/laakkonen/constant/MRFProperties
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/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 3.0.x |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object dynamicMeshDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
MRF1
{
cellZone rotor;
active yes;

// Fixed patches (by default they 'move' with the MRF zone)
nonRotatingPatches ();

origin (0 0 0);
axis (0 1 0);
omega 70; // rad/s (1 rad/s = 9.55 rpm)
}

// ************************************************************************* //
22 changes: 22 additions & 0 deletions OFsolvers/tutorial_cases/laakkonen/constant/g
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/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 3.0.0 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class uniformDimensionedVectorField;
location "constant";
object g;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

dimensions [0 1 -2 0 0 0 0];
value (0 -9.81 0);


// ************************************************************************* //
37 changes: 37 additions & 0 deletions OFsolvers/tutorial_cases/laakkonen/constant/globalTransport
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//****** Temperature ************
Temp 295.15; // K
//*****Gas transport*******************
muMixGas 1.479e-05;
PrMixGas 0.7;
LeGas 1.0;
dbubGas 0.001;
//****Liquid transport*****************
CpMixLiq 2359.8;
muMixLiq 0.0029; // 1 cP at 20C, 0.467 at 60C
kThermLiq 0.167; // W/m-K
RMixLiq 3000; //NOT SURE
rho0MixLiq 810; // kg/m^3
sigmaLiq 0.023; //surface tension N/m
ddropLiq 0.003; // NOT SURE
//Wilke-Chang params for diffusivity of aq. O2
// not currently used, JJS 4/14/16
WC_psi 2.6;
WC_M 18; // kg/kmol
WC_V 25.6e-3; // m3/kmol / O2=25.6e-3 / H2=14.3e-3 / CO2=34e-3
//********************************************
H_O2_298 0.032;
DH_O2 1700;
H_CO2_298 0.83;
DH_CO2 2400;
H_H2_298 0.019;
DH_H2 500;
H_CH4_298 0.032;
DH_CH4 1900;
// ******* Inlet conditions *********
targetUs 0.02;
inletArea 0.5;
totalArea 1.0;
inletAlphaGas 1.0;
liqHeight 1.5;
presfactor 1.1; // (P1+rho*g*h)/(P1+rho*g*h/2)
O2Liquid 0; // massFrac=C(mol/m3)*MW/rho 3.2e-6=0.1(mol/m3)
114 changes: 114 additions & 0 deletions OFsolvers/tutorial_cases/laakkonen/constant/globalVars
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T0 295.15; // initial T(K) which stays constant
// water thermophysical properties
// https://www.iea-amf.org/content/fuel_information/butanol/properties
//*****Gas transport*******************
muMixGas 1.479e-05;
PrMixGas 0.7;
LeGas 1.0;
dbubGas 0.001;

muMixLiq 0.0029; // Pa.s
CpMixLiq 2359.8; // J/kg-K https://webbook.nist.gov/cgi/cbook.cgi?ID=C71363&Mask=2
kThermLiq 0.167; // W/m-K // https://www.engineeringtoolbox.com/thermal-conductivity-liquids-d_1260.html
rho0MixLiq 810; // kg/m^3
RMixLiq 3000; //NOT SURE
sigmaLiq 0.023; //surface tension N/m (laakkonen)
//Wilke-Chang params for diffusion coefficient of a given solute in water (solvent)
WC_psi 1.5; //https://www.egichem.com/tools/calculators/wilke-chang/
WC_M 74.1; // kg/kmol
WC_V_O2 25.6e-3; // m3/kmol molar volume at normal boiling temperature (Treybal 1968)
WC_V_H2 14.3e-3;
WC_V_CO2 34e-3;
WC_V_CO 30.7e-3;
WC_V_CH4 35e-3; // V_b[cm3/mol]=0.285*V_critical^1.048 (Tyn and Calus; ESTIMATING LIQUID MOLAL VOLUME; Processing, Volume 21, Issue 4, Pages 16 - 17)
//****** diffusion coeff ***********
D_H2 #calc "1.173e-16 * pow($WC_psi * $WC_M,0.5) * $T0 / $muMixLiq / pow($WC_V_H2,0.6)";
D_CO2 #calc "1.173e-16 * pow($WC_psi * $WC_M,0.5) * $T0 / $muMixLiq / pow($WC_V_CO2,0.6)";
D_CO #calc "1.173e-16 * pow($WC_psi * $WC_M,0.5) * $T0 / $muMixLiq / pow($WC_V_CO,0.6)";
D_CH4 #calc "1.173e-16 * pow($WC_psi * $WC_M,0.5) * $T0 / $muMixLiq / pow($WC_V_CH4,0.6)";
// D_H2=3.4e-9, D_CO2=2e-9, D_CO=2.16e-9 at 25C
// Looks like the H2 diffusion is less than litr reported values ~ 4.5e-9
// Scale down by a factor 10
//****** Henry coeff ***************
H_O2_298 0.0032;
DH_O2 1700;
H_CO2_298 0.006916666666666667;//https://www.pure.ed.ac.uk/ws/portalfiles/portal/84258037/Kvam_Sarkisov_Solubility_v12.pdf
DH_CO2 2400;
H_CO_298 0.0023;
DH_CO 1300;
H_H2_298 0.0019;
DH_H2 500;
H_CH4_298 0.0009600960096009601;//https://www.pure.ed.ac.uk/ws/portalfiles/portal/84258037/Kvam_Sarkisov_Solubility_v12.pdf
DH_CH4 1900;

He_H2 #calc "$H_H2_298 * exp($DH_H2 *(1. / $T0 - 1./298.15))";
He_CO #calc "$H_CO_298 * exp($DH_CO *(1. / $T0 - 1./298.15))";
He_CO2 #calc "$H_CO2_298 * exp($DH_CO2 *(1. / $T0 - 1./298.15))";
He_CH4 #calc "$H_CH4_298 * exp($DH_CH4 *(1. / $T0 - 1./298.15))";
//*******inlet gas frac*************
f_H2 0.0;
f_CO2 1.0;
f_CO 0.0;
//*********************************
LeLiqH2 #calc "$kThermLiq / $rho0MixLiq / $D_H2 / $CpMixLiq";
LeLiqCO #calc "$kThermLiq / $rho0MixLiq / $D_CO / $CpMixLiq";
LeLiqCO2 #calc "$kThermLiq / $rho0MixLiq / $D_CO2 / $CpMixLiq"; // = 74
LeLiqCH4 #calc "$kThermLiq / $rho0MixLiq / $D_CH4 / $CpMixLiq";

LeLiqMix #calc "$f_H2*$LeLiqH2+$f_CO2*$LeLiqCO2+$f_CO*$LeLiqCO";
PrMixLiq #calc "$CpMixLiq * $muMixLiq / $kThermLiq";
// Pr number is ~ 7 for water and ~ 0.7 for air
//*********************************
kH2 #calc "$D_H2*$rho0MixLiq*$CpMixLiq*$LeLiqMix";
PrH2 #calc "$muMixLiq*$CpMixLiq / $kH2";

kCO #calc "$D_CO*$rho0MixLiq*$CpMixLiq*$LeLiqMix";
PrCO #calc "$muMixLiq*$CpMixLiq / $kCO";

kCO2 #calc "$D_CO2*$rho0MixLiq*$CpMixLiq*$LeLiqMix";
PrCO2 #calc "$muMixLiq*$CpMixLiq / $kCO2";

kCH4 #calc "$D_CH4*$rho0MixLiq*$CpMixLiq*$LeLiqMix";
PrCH4 #calc "$muMixLiq*$CpMixLiq / $kCH4";
//*****Gas transport*******************
muMixGas 1.88e-05;
PrMixGas 0.7;
LeGas 1.0;
//dbubGas 0.001;
//*********************************
HtBcol 0.260;
DiaBcol 0.260;
LiqHt 0.260;
LiqHt_limit #calc "1.0*$HtBcol";
//*********************************
P0 1.01325E5;
Pbot #calc "$P0+1000.0*$LiqHt*9.8";
Pmid #calc "$P0+1000.0*0.5*$LiqHt*9.8";

//bubble column cross-section divided by sparger area

NHoles 12;
dHoles 0.001;
S_col #calc "$DiaBcol * $DiaBcol * 3.14159 / 4.0";
V_col #calc "$S_col * $HtBcol";
S_sparg #calc "$NHoles * $dHoles * $dHoles * 3.14159 / 4.0";
uGas #calc "0.0001 * $V_col * 0.7 / ($S_sparg * 60)";

V_flowRate #calc "0.7 * $V_col / 60";

ArbyAs #calc "$S_col / $S_sparg";
uSupVel #calc "$uGas * $S_sparg / $S_col";
A_Bcol #calc "3.14159 * $DiaBcol * $DiaBcol / 4.0";
rho_gas #calc "$Pmid / 287.0 / $T0";
mflowRate #calc "$uSupVel * $A_Bcol * $rho_gas";

//*********************************
intensity 0.05;
l_scale 0.001;
u_true_gas 17.0825308;
k_inlet_gas #calc "1.5 * Foam::pow(($u_true_gas), 2) * Foam::pow($intensity, 2)";
k_inlet_liq #calc "1.5 * Foam::pow(($u_true_gas), 2) * Foam::pow($intensity, 2)";
eps_inlet_gas #calc "pow(0.09,0.75) * Foam::pow($k_inlet_gas, 1.5) / ($l_scale * 0.07)";
eps_inlet_liq #calc "pow(0.09,0.75) * Foam::pow($k_inlet_liq, 1.5) / ($l_scale * 0.07)";
omega_inlet_gas #calc "pow(0.09,-0.25) * pow($k_inlet_gas,0.5) / ($l_scale * 0.07)";
omega_inlet_liq #calc "pow(0.09,-0.25) * pow($k_inlet_liq,0.5) / ($l_scale * 0.07)";
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