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constants: Standardise use of kmol instead of mol

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This prevents spurious factors of 1000 from being introduced in
thermodynamic models. It also generalises the system further with
respect to alternative unit sets.
This commit is contained in:
Will Bainbridge
2023-12-13 14:34:32 +00:00
parent f1a70fab7e
commit 58e38a761f
15 changed files with 22 additions and 41 deletions
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2
applications/solvers/chemFoam/pEqn.H
View File

@ -8,7 +8,7 @@
invW += Y[i][0]/W[i]; invW += Y[i][0]/W[i];
} }
Rspecific[0] = 1000.0*constant::physicoChemical::R.value()*invW; Rspecific[0] = constant::physicoChemical::RR.value()*invW;
p[0] = rho0*Rspecific[0]*thermo.T()[0]; p[0] = rho0*Rspecific[0]*thermo.T()[0];
rho[0] = rho0; rho[0] = rho0;

8
etc/controlDict
View File

@ -120,6 +120,7 @@ DimensionedConstants
physicoChemical physicoChemical
{ {
mu [1 0 0 0 0 0 0] 1.66054e-27; mu [1 0 0 0 0 0 0] 1.66054e-27;
NA [0 0 0 0 -1 0 0] 6.02214e+26;
k [1 2 -2 -1 0 0 0] 1.38065e-23; k [1 2 -2 -1 0 0 0] 1.38065e-23;
} }
@ -156,6 +157,7 @@ DimensionedConstants
physicoChemical physicoChemical
{ {
mu [1 0 0 0 0 0 0] 3.66083e-27; mu [1 0 0 0 0 0 0] 3.66083e-27;
NA [0 0 0 0 -1 0 0] 6.02214e+26;
k [1 2 -2 -1 0 0 0] 1.82012e-22; k [1 2 -2 -1 0 0 0] 1.82012e-22;
} }
@ -182,7 +184,7 @@ DimensionSets
m [0 1 0 0 0 0 0] 1; m [0 1 0 0 0 0 0] 1;
s [0 0 1 0 0 0 0] 1; s [0 0 1 0 0 0 0] 1;
K [0 0 0 1 0 0 0] 1; K [0 0 0 1 0 0 0] 1;
mol [0 0 0 0 1 0 0] 1; kmol [0 0 0 0 1 0 0] 1;
A [0 0 0 0 0 1 0] 1; A [0 0 0 0 0 1 0] 1;
Cd [0 0 0 0 0 0 1] 1; Cd [0 0 0 0 0 0 1] 1;
@ -204,11 +206,13 @@ DimensionSets
// UniformDimensionedField. Not supported in DimensionedField or // UniformDimensionedField. Not supported in DimensionedField or
// GeometricField. // GeometricField.
g [kg] 1e-3; g [kg] 1e-3;
um [m] 1e-6;
mm [m] 1e-3; mm [m] 1e-3;
cm [m] 1e-2; cm [m] 1e-2;
km [m] 1e3; km [m] 1e3;
us [s] 1e-6; us [s] 1e-6;
ms [s] 1e-3; ms [s] 1e-3;
mol [kmol] 1e-3;
} }
USCSCoeffs USCSCoeffs
@ -218,7 +222,7 @@ DimensionSets
ft [0 1 0 0 0 0 0] 1; ft [0 1 0 0 0 0 0] 1;
s [0 0 1 0 0 0 0] 1; s [0 0 1 0 0 0 0] 1;
R [0 0 0 1 0 0 0] 1; R [0 0 0 1 0 0 0] 1;
mol [0 0 0 0 1 0 0] 1; kmol [0 0 0 0 1 0 0] 1;
A [0 0 0 0 0 1 0] 1; A [0 0 0 0 0 1 0] 1;
Cd [0 0 0 0 0 0 1] 1; Cd [0 0 0 0 0 0 1] 1;
} }

2
etc/templates/singleFluidCHT/templates/materials/air/physicalProperties
View File

@ -29,7 +29,7 @@ mixture
specie specie
{ {
nMoles 1; nMoles 1;
molWeight 28.9; // [g/mol] molWeight 28.9; // [kg/kmol]
} }
thermodynamics thermodynamics
{ {

2
etc/templates/singleFluidCHT/templates/materials/aluminium/physicalProperties
View File

@ -29,7 +29,7 @@ mixture
specie specie
{ {
nMoles 1; nMoles 1;
molWeight 27; // [g/mol] molWeight 27; // [kg/kmol]
} }
transport transport

2
etc/templates/singleFluidCHT/templates/materials/copper/physicalProperties
View File

@ -29,7 +29,7 @@ mixture
specie specie
{ {
nMoles 1; nMoles 1;
molWeight 63.5; // [g/mol] molWeight 63.5; // [kg/kmol]
} }
transport transport

2
etc/templates/singleFluidCHT/templates/materials/water/physicalProperties
View File

@ -29,7 +29,7 @@ mixture
specie specie
{ {
nMoles 1; nMoles 1;
molWeight 18.0; // [g/mol] molWeight 18.0; // [kg/kmol]
} }
equationOfState equationOfState
{ {

8
src/OpenFOAM/global/constants/fundamental/fundamentalConstants.C
View File

@ -2,7 +2,7 @@
========= | ========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org \\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2020 OpenFOAM Foundation \\ / A nd | Copyright (C) 2011-2023 OpenFOAM Foundation
\\/ M anipulation | \\/ M anipulation |
------------------------------------------------------------------------------- -------------------------------------------------------------------------------
License License
@ -108,11 +108,7 @@ const Foam::dimensionedScalar physicoChemical::NA
( (
physicoChemical::group, physicoChemical::group,
"NA", "NA",
dimensionedScalar dimensionSet(0, 0, 0, 0, -1)
(
dimensionSet(0, 0, 0, 0, -1), // dimless/dimMoles,
6.0221417930e+23
)
) )
); );

19
src/OpenFOAM/global/constants/physicoChemical/physicoChemicalConstants.C
View File

@ -2,7 +2,7 @@
========= | ========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org \\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2020 OpenFOAM Foundation \\ / A nd | Copyright (C) 2011-2023 OpenFOAM Foundation
\\/ M anipulation | \\/ M anipulation |
------------------------------------------------------------------------------- -------------------------------------------------------------------------------
License License
@ -41,28 +41,13 @@ const char* const physicoChemical::group = "physicoChemical";
// Note: cannot use dimless etc. as they may not have been constructed yet // Note: cannot use dimless etc. as they may not have been constructed yet
const Foam::dimensionedScalar physicoChemical::R
(
dimensionedConstant
(
physicoChemical::group,
"R",
physicoChemical::NA*physicoChemical::k
)
);
// Note: the 1e3 converts from /mol to /kmol for consistency with the
// SI choice of kg rather than g for mass.
// This is not appropriate for USCS and will be changed to an entry in
// the DimensionedConstants dictionary in etc/controlDict
const Foam::dimensionedScalar physicoChemical::RR const Foam::dimensionedScalar physicoChemical::RR
( (
dimensionedConstant dimensionedConstant
( (
physicoChemical::group, physicoChemical::group,
"RR", "RR",
1000*physicoChemical::R physicoChemical::NA*physicoChemical::k
) )
); );

7
src/OpenFOAM/global/constants/physicoChemical/physicoChemicalConstants.H
View File

@ -2,7 +2,7 @@
========= | ========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org \\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2020 OpenFOAM Foundation \\ / A nd | Copyright (C) 2011-2023 OpenFOAM Foundation
\\/ M anipulation | \\/ M anipulation |
------------------------------------------------------------------------------- -------------------------------------------------------------------------------
License License
@ -48,13 +48,10 @@ namespace physicoChemical
//- Group name for physico-chemical constants //- Group name for physico-chemical constants
extern const char* const group; extern const char* const group;
//- Universal gas constant: default SI units: [J/mol/K]
extern const dimensionedScalar R;
//- Universal gas constant: default SI units: [J/kmol/K] //- Universal gas constant: default SI units: [J/kmol/K]
extern const dimensionedScalar RR; extern const dimensionedScalar RR;
//- Faraday constant: default SI units: [C/mol] //- Faraday constant: default SI units: [C/kmol]
extern const dimensionedScalar F; extern const dimensionedScalar F;
//- Stefan-Boltzmann constant: default SI units: [W/m^2/K^4] //- Stefan-Boltzmann constant: default SI units: [W/m^2/K^4]

1
src/thermophysicalModels/specie/specie/specie.C
View File

@ -24,7 +24,6 @@ License
\*---------------------------------------------------------------------------*/ \*---------------------------------------------------------------------------*/
#include "specie.H" #include "specie.H"
#include "constants.H"
/* * * * * * * * * * * * * * * public constants * * * * * * * * * * * * * * */ /* * * * * * * * * * * * * * * public constants * * * * * * * * * * * * * * */

2
tutorials/multiRegion/CHT/coolingCylinder2D/constant/fluid/physicalProperties
View File

@ -29,7 +29,7 @@ mixture
specie specie
{ {
nMoles 1; nMoles 1;
molWeight 18; // [g/mol] molWeight 18; // [kg/kmol]
} }
equationOfState equationOfState
{ {

2
tutorials/multiRegion/CHT/coolingSphere/templates/materials/air/physicalProperties
View File

@ -29,7 +29,7 @@ mixture
specie specie
{ {
nMoles 1; nMoles 1;
molWeight 28.9; // [g/mol] molWeight 28.9; // [kg/kmol]
} }
thermodynamics thermodynamics
{ {

2
tutorials/multiRegion/CHT/coolingSphere/templates/materials/aluminium/physicalProperties
View File

@ -29,7 +29,7 @@ mixture
specie specie
{ {
nMoles 1; nMoles 1;
molWeight 27; // [g/mol] molWeight 27; // [kg/kmol]
} }
transport transport

2
tutorials/multiRegion/CHT/coolingSphere/templates/materials/copper/physicalProperties
View File

@ -29,7 +29,7 @@ mixture
specie specie
{ {
nMoles 1; nMoles 1;
molWeight 63.5; // [g/mol] molWeight 63.5; // [kg/kmol]
} }
transport transport

2
tutorials/multiRegion/CHT/coolingSphere/templates/materials/water/physicalProperties
View File

@ -29,7 +29,7 @@ mixture
specie specie
{ {
nMoles 1; nMoles 1;
molWeight 18.0; // [g/mol] molWeight 18.0; // [kg/kmol]
} }
equationOfState equationOfState
{ {