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dumux-repositories
dumux
Commits
22fb403a
Commit
22fb403a
authored
Nov 20, 2019
by
Kai Wendel
Browse files
a few commentary corrections and TODOs to be done
Signed-off-by:
Kai Wendel
<
kaiwendel90@googlemail.com
>
parent
dc001ff4
Changes
22
Hide whitespace changes
Inline
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dumux/material/binarycoefficients/air_xylene.hh
View file @
22fb403a
...
...
@@ -39,7 +39,7 @@ class Air_Xylene
public:
/*!
* \brief Henry coefficient \f$\mathrm{[Pa]}\f$ for mesitylene in air.
* \param temperature
t
he temperature \f$\mathrm{[K]}\f$
* \param temperature
T
he temperature \f$\mathrm{[K]}\f$
*/
template
<
class
Scalar
>
static
Scalar
henry
(
Scalar
temperature
)
...
...
@@ -51,8 +51,8 @@ public:
* \brief Binary diffusion coefficient \f$\mathrm{[m^2/s]}\f$ for air and xylene.
* method according to Wilke and Lee
* see W.J. Lyman, W.F. Reehl, D.H. Rosenblatt (1990) \cite lyman1990 <BR>
* \param temperature
t
emperature in \f$\mathrm{[K]}\f$
* \param pressure
p
ressure in \f$\mathrm{[Pa]}\f$
* \param temperature
T
emperature in \f$\mathrm{[K]}\f$
* \param pressure
P
ressure in \f$\mathrm{[Pa]}\f$
*
*/
template
<
class
Scalar
>
...
...
@@ -92,13 +92,13 @@ public:
const
Scalar
D_ax
=
(
B_
*
pow
(
temperature
,
1.5
)
*
sqrt
(
Mr
))
/
(
1e-5
*
pressure
*
pow
(
sigma_ax
,
2.0
)
*
Omega
);
// [cm^2/s]
return
D_ax
*
1e-4
;
//
[m^2/s]
return
D_ax
*
1e-4
;
// [m^2/s]
}
/*!
* \brief Diffusion coefficient \f$\mathrm{[m^2/s]}\f$ for air and xylene in liquid water.
* \param temperature
t
emperature in \f$\mathrm{[K]}\f$
* \param pressure
p
ressure in \f$\mathrm{[Pa]}\f$
* \param temperature
T
emperature in \f$\mathrm{[K]}\f$
* \param pressure
P
ressure in \f$\mathrm{[Pa]}\f$
*
* \note Returns just an order of magnitude.
*/
...
...
dumux/material/binarycoefficients/brine_co2.hh
View file @
22fb403a
...
...
@@ -49,14 +49,14 @@ public:
* \brief Binary diffusion coefficient \f$\mathrm{[m^2/s]}\f$ of water in the CO2 phase.
*
* According to B. Xu et al. (2002) \cite xu2003 <BR>
* \param temperature
t
he temperature \f$\mathrm{[K]}\f$
* \param pressure
t
he phase pressure \f$\mathrm{[Pa]}\f$
* \param temperature
T
he temperature \f$\mathrm{[K]}\f$
* \param pressure
T
he phase pressure \f$\mathrm{[Pa]}\f$
*/
static
Scalar
gasDiffCoeff
(
Scalar
temperature
,
Scalar
pressure
)
{
if
(
!
hasParam
(
"BinaryCoefficients.GasDiffCoeff"
))
//in case one might set that user-specific as e.g. in dumux-lecture/mm/convectivemixing
{
//Diffusion coefficient of water in the CO2 phase
//
Diffusion coefficient of water in the CO2 phase
Scalar
const
PI
=
3.141593
;
Scalar
const
k
=
1.3806504e-23
;
// Boltzmann constant
Scalar
const
c
=
4
;
// slip parameter, can vary between 4 (slip condition) and 6 (stick condition)
...
...
@@ -64,22 +64,26 @@ public:
Scalar
mu
=
CO2
::
gasViscosity
(
temperature
,
pressure
);
// CO2 viscosity
Scalar
D
=
k
/
(
c
*
PI
*
R_h
)
*
(
temperature
/
mu
);
return
D
;
}
else
return
getParam
<
Scalar
>
(
"BinaryCoefficients.GasDiffCoeff"
);
}
else
return
getParam
<
Scalar
>
(
"BinaryCoefficients.GasDiffCoeff"
);
}
/*!
* \brief Binary diffusion coefficient \f$\mathrm{[m^2/s]}\f$ of CO2 in the brine phase.
*
* \param temperature
t
he temperature \f$\mathrm{[K]}\f$
* \param pressure
t
he phase pressure \f$\mathrm{[Pa]}\f$
* \param temperature
T
he temperature \f$\mathrm{[K]}\f$
* \param pressure
T
he phase pressure \f$\mathrm{[Pa]}\f$
*/
static
Scalar
liquidDiffCoeff
(
Scalar
temperature
,
Scalar
pressure
)
{
//Diffusion coefficient of CO2 in the brine phase
//
Diffusion coefficient of CO2 in the brine phase
if
(
!
hasParam
(
"BinaryCoefficients.LiquidDiffCoeff"
))
//in case one might set that user-specific as e.g. in dumux-lecture/mm/convectivemixing
{
return
2e-9
;
}
else
return
getParam
<
Scalar
>
(
"BinaryCoefficients.LiquidDiffCoeff"
);
}
else
return
getParam
<
Scalar
>
(
"BinaryCoefficients.LiquidDiffCoeff"
);
}
/*!
...
...
@@ -92,12 +96,12 @@ public:
* applying the activity coefficient expression of Duan and Sun (2003) \cite duan2003 <BR>
* and the correlations for pure water given in Spycher, Pruess and Ennis-King (2003) \cite spycher2003 <BR>
*
* \param temperature
t
he temperature \f$\mathrm{[K]}\f$
* \param pg
t
he gas phase pressure \f$\mathrm{[Pa]}\f$
* \param salinity
t
he salinity \f$\mathrm{[kg \ NaCl / kg \ solution]}\f$
* \param knownPhaseIdx
i
ndicates which phases are present
* \param xlCO2
m
ole fraction of CO2 in brine \f$\mathrm{[mol/mol]}\f$
* \param ygH2O
m
ole fraction of water in the gas phase \f$\mathrm{[mol/mol]}\f$
* \param temperature
T
he temperature \f$\mathrm{[K]}\f$
* \param pg
T
he gas phase pressure \f$\mathrm{[Pa]}\f$
* \param salinity
T
he salinity \f$\mathrm{[kg \ NaCl / kg \ solution]}\f$
* \param knownPhaseIdx
I
ndicates which phases are present
* \param xlCO2
M
ole fraction of CO2 in brine \f$\mathrm{[mol/mol]}\f$
* \param ygH2O
M
ole fraction of water in the gas phase \f$\mathrm{[mol/mol]}\f$
*/
static
void
calculateMoleFractions
(
const
Scalar
temperature
,
const
Scalar
pg
,
...
...
@@ -140,8 +144,8 @@ public:
* \brief Returns the fugacity coefficient of the CO2 component in a water-CO2 mixture
* (given in Spycher, Pruess and Ennis-King (2003) \cite spycher2003 )
*
* \param T
t
he temperature \f$\mathrm{[K]}\f$
* \param pg
t
he gas phase pressure \f$\mathrm{[Pa]}\f$
* \param T
T
he temperature \f$\mathrm{[K]}\f$
* \param pg
T
he gas phase pressure \f$\mathrm{[Pa]}\f$
*/
static
Scalar
fugacityCoefficientCO2
(
Scalar
T
,
Scalar
pg
)
{
...
...
@@ -168,8 +172,8 @@ public:
* \brief Returns the fugacity coefficient of the H2O component in a water-CO2 mixture
* (given in Spycher, Pruess and Ennis-King (2003) \cite spycher2003 )
*
* \param T
t
he temperature \f$\mathrm{[K]}\f$
* \param pg
t
he gas phase pressure \f$\mathrm{[Pa]}\f$
* \param T
T
he temperature \f$\mathrm{[K]}\f$
* \param pg
T
he gas phase pressure \f$\mathrm{[Pa]}\f$
*/
static
Scalar
fugacityCoefficientH2O
(
Scalar
T
,
Scalar
pg
)
{
...
...
@@ -197,7 +201,7 @@ public:
private:
/*!
* \brief Returns the molality of NaCl \f$\mathrm{[mol \ NaCl / kg \ water]}\f$ for a given mole fraction
* \param salinity
t
he salinity \f$\mathrm{[kg \ NaCl / kg \ solution]}\f$
* \param salinity
T
he salinity \f$\mathrm{[kg \ NaCl / kg \ solution]}\f$
*/
static
Scalar
salinityToMoleFrac_
(
Scalar
salinity
)
{
...
...
@@ -214,7 +218,7 @@ private:
* \brief Returns the molality of NaCl \f$\mathrm{(mol \ NaCl / kg \ water)}\f$
* for a given mole fraction \f$\mathrm{(mol \ NaCl / mol\ solution)}\f$
*
* \param x_NaCl
m
ole fraction of NaCL in brine \f$\mathrm{[mol/mol]}\f$
* \param x_NaCl
M
ole fraction of NaCL in brine \f$\mathrm{[mol/mol]}\f$
*/
static
Scalar
molFracToMolality_
(
Scalar
x_NaCl
)
{
...
...
@@ -225,10 +229,10 @@ private:
/*!
* \brief Returns the equilibrium molality of CO2 \f$\mathrm{(mol \ CO2 / kg \ water)}\f$ for a
* CO2-water mixture at a given pressure and temperature
*
CO2-water mixture at a given pressure and temperature
*
* \param temperature
t
he temperature \f$\mathrm{[K]}\f$
* \param pg
t
he gas phase pressure \f$\mathrm{[Pa]}\f$
* \param temperature
T
he temperature \f$\mathrm{[K]}\f$
* \param pg
T
he gas phase pressure \f$\mathrm{[Pa]}\f$
*/
static
Scalar
molalityCO2inPureWater_
(
Scalar
temperature
,
Scalar
pg
)
{
...
...
@@ -245,9 +249,9 @@ private:
* molal description. According to Duan and Sun (2003) \cite duan2003 <BR>
* given in Spycher and Pruess (2005) \cite spycher2005 <BR>
*
* \param temperature
t
he temperature \f$\mathrm{[K]}\f$
* \param pg
t
he gas phase pressure \f$\mathrm{[Pa]}\f$
* \param molalityNaCl
m
olality of NaCl \f$\mathrm{(mol \ NaCl / kg \ water)}\f$
* \param temperature
T
he temperature \f$\mathrm{[K]}\f$
* \param pg
T
he gas phase pressure \f$\mathrm{[Pa]}\f$
* \param molalityNaCl
M
olality of NaCl \f$\mathrm{(mol \ NaCl / kg \ water)}\f$
*/
static
Scalar
activityCoefficient_
(
Scalar
temperature
,
Scalar
pg
,
Scalar
molalityNaCl
)
{
...
...
@@ -265,8 +269,8 @@ private:
* them mutual solubility in the water-CO2 system.
* Given in Spycher, Pruess and Ennis-King (2003) \cite spycher2003 <BR>
*
* \param T
t
he temperature \f$\mathrm{[K]}\f$
* \param pg
t
he gas phase pressure \f$\mathrm{[Pa]}\f$
* \param T
T
he temperature \f$\mathrm{[K]}\f$
* \param pg
T
he gas phase pressure \f$\mathrm{[Pa]}\f$
*/
static
Scalar
computeA_
(
Scalar
T
,
Scalar
pg
)
{
...
...
@@ -286,8 +290,8 @@ private:
* the mutual solubility in the water-CO2 system.
* Given in Spycher, Pruess and Ennis-King (2003) \cite spycher2003 <BR>
*
* \param T
t
he temperature \f$\mathrm{[K]}\f$
* \param pg
t
he gas phase pressure \f$\mathrm{[Pa]}\f$
* \param T
T
he temperature \f$\mathrm{[K]}\f$
* \param pg
T
he gas phase pressure \f$\mathrm{[Pa]}\f$
*/
static
Scalar
computeB_
(
Scalar
T
,
Scalar
pg
)
{
...
...
@@ -307,8 +311,8 @@ private:
* \brief Returns the parameter lambda, which is needed for the
* calculation of the CO2 activity coefficient in the brine-CO2 system.
* Given in Spycher and Pruess (2005) \cite spycher2005 <BR>
* \param T
t
he temperature \f$\mathrm{[K]}\f$
* \param pg
t
he gas phase pressure \f$\mathrm{[Pa]}\f$
* \param T
T
he temperature \f$\mathrm{[K]}\f$
* \param pg
T
he gas phase pressure \f$\mathrm{[Pa]}\f$
*/
static
Scalar
computeLambda_
(
Scalar
T
,
Scalar
pg
)
{
...
...
@@ -328,8 +332,8 @@ private:
* \brief Returns the parameter xi, which is needed for the
* calculation of the CO2 activity coefficient in the brine-CO2 system.
* Given in Spycher and Pruess (2005) \cite spycer2005 <BR>
* \param T
t
he temperature \f$\mathrm{[K]}\f$
* \param pg
t
he gas phase pressure \f$\mathrm{[Pa]}\f$
* \param T
T
he temperature \f$\mathrm{[K]}\f$
* \param pg
T
he gas phase pressure \f$\mathrm{[Pa]}\f$
*/
static
Scalar
computeXi_
(
Scalar
T
,
Scalar
pg
)
{
...
...
@@ -347,7 +351,7 @@ private:
* \brief Returns the equilibrium constant for CO2, which is needed for the
* calculation of the mutual solubility in the water-CO2 system
* Given in Spycher, Pruess and Ennis-King (2003) \cite spycher2003 <BR>
* \param T
t
he temperature \f$\mathrm{[K]}\f$
* \param T
T
he temperature \f$\mathrm{[K]}\f$
*/
static
Scalar
equilibriumConstantCO2_
(
Scalar
T
)
{
...
...
@@ -363,7 +367,7 @@ private:
* \brief Returns the equilibrium constant for H2O, which is needed for the
* calculation of the mutual solubility in the water-CO2 system
* Given in Spycher, Pruess and Ennis-King (2003) \cite spycher2003 <BR>
* \param T
t
he temperature \f$\mathrm{[K]}\f$
* \param T
T
he temperature \f$\mathrm{[K]}\f$
*/
static
Scalar
equilibriumConstantH2O_
(
Scalar
T
)
{
...
...
@@ -396,9 +400,9 @@ public:
* \brief Returns the _mole_ (!) fraction of CO2 in the liquid
* phase at a given temperature, pressure and density of
* CO2.
* \param temperature
t
he temperature \f$\mathrm{[K]}\f$
* \param pg
t
he gas phase pressure \f$\mathrm{[Pa]}\f$
* \param rhoCO2
d
ensity of CO2
* \param temperature
T
he temperature \f$\mathrm{[K]}\f$
* \param pg
T
he gas phase pressure \f$\mathrm{[Pa]}\f$
* \param rhoCO2
D
ensity of CO2
*/
static
Scalar
moleFracCO2InBrine
(
Scalar
temperature
,
Scalar
pg
,
Scalar
rhoCO2
)
{
...
...
@@ -447,9 +451,9 @@ public:
private:
/*!
* \brief
c
omputation of \f$\mathrm{[mu_{CO2}^{l(0)}/RT]}\f$
* \param T
t
he temperature \f$\mathrm{[K]}\f$
* \param pg
t
he gas phase pressure \f$\mathrm{[Pa]}\f$
* \brief
C
omputation of \f$\mathrm{[mu_{CO2}^{l(0)}/RT]}\f$
* \param T
T
he temperature \f$\mathrm{[K]}\f$
* \param pg
T
he gas phase pressure \f$\mathrm{[Pa]}\f$
*/
static
Scalar
computeA_
(
Scalar
T
,
Scalar
pg
)
{
...
...
@@ -484,10 +488,10 @@ private:
}
/*!
* \brief
c
omputation of B
* \brief
C
omputation of B
*
* \param T
t
he temperature \f$\mathrm{[K]}\f$
* \param pg
t
he gas phase pressure \f$\mathrm{[Pa]}\f$
* \param T
T
he temperature \f$\mathrm{[K]}\f$
* \param pg
T
he gas phase pressure \f$\mathrm{[Pa]}\f$
*/
static
Scalar
computeB_
(
Scalar
T
,
Scalar
pg
)
{
...
...
@@ -511,10 +515,10 @@ private:
}
/*!
* \brief
c
omputation of C
* \brief
C
omputation of C
*
* \param T
t
he temperature \f$\mathrm{[K]}\f$
* \param pg
t
he gas phase pressure \f$\mathrm{[Pa]}\f$
* \param T
T
he temperature \f$\mathrm{[K]}\f$
* \param pg
T
he gas phase pressure \f$\mathrm{[Pa]}\f$
*/
static
Scalar
computeC_
(
Scalar
T
,
Scalar
pg
)
{
...
...
@@ -533,14 +537,14 @@ private:
}
/*!
* \brief
c
omputation of partial pressure CO2
* \brief
C
omputation of partial pressure CO2
*
* We assume that the partial pressure of brine is its vapor pressure.
* \warning: Strictly this is assumption is invalid for CO2 because the
* mole fraction of CO2 in brine can be considerable
*
* \param temperature
t
he temperature \f$\mathrm{[K]}\f$
* \param pg
t
he gas phase pressure \f$\mathrm{[Pa]}\f$
* \param temperature
T
he temperature \f$\mathrm{[K]}\f$
* \param pg
T
he gas phase pressure \f$\mathrm{[Pa]}\f$
*/
static
Scalar
partialPressureCO2_
(
Scalar
temperature
,
Scalar
pg
)
{
...
...
@@ -550,9 +554,9 @@ private:
/*!
* \brief The fugacity coefficient of CO2 for a CO2-H2O mixture.
*
* \param temperature
t
he temperature \f$\mathrm{[K]}\f$
* \param pg
t
he gas phase pressure \f$\mathrm{[Pa]}\f$
* \param rhoCO2
t
he density of CO2 for the critical volume \f$\mathrm{[kg/m^3]}\f$
* \param temperature
T
he temperature \f$\mathrm{[K]}\f$
* \param pg
T
he gas phase pressure \f$\mathrm{[Pa]}\f$
* \param rhoCO2
T
he density of CO2 for the critical volume \f$\mathrm{[kg/m^3]}\f$
*/
static
Scalar
fugacityCoeffCO2_
(
Scalar
temperature
,
Scalar
pg
,
...
...
dumux/material/binarycoefficients/fullermethod.hh
View file @
22fb403a
...
...
@@ -33,10 +33,10 @@ namespace BinaryCoeff {
* \brief Estimate binary diffusion coefficients \f$\mathrm{[m^2/s]}\f$ in gases according to
* the method by Fuller.
*
* \param M
m
olar masses \f$\mathrm{[g/mol]}\f$
* \param SigmaNu
a
tomic diffusion volume
* \param M
M
olar masses \f$\mathrm{[g/mol]}\f$
* \param SigmaNu
A
tomic diffusion volume
* \param temperature The temperature \f$\mathrm{[K]}\f$
* \param pressure
p
hase pressure \f$\mathrm{[Pa]}\f$
* \param pressure
P
hase pressure \f$\mathrm{[Pa]}\f$
*
* This function estimates the diffusion coefficients in binary gases
* using to the method proposed by Fuller. This method and is only
...
...
dumux/material/binarycoefficients/h2o_ch4.hh
View file @
22fb403a
...
...
@@ -64,14 +64,12 @@ public:
/*!
* \brief Binary diffusion coefficient \f$\mathrm{[m^2/s]}\f$ for molecular water in methane.
*
* \param temperature
t
he temperature \f$\mathrm{[K]}\f$
* \param pressure
t
he phase pressure \f$\mathrm{[Pa]}\f$
* \param temperature
T
he temperature \f$\mathrm{[K]}\f$
* \param pressure
T
he phase pressure \f$\mathrm{[Pa]}\f$
*/
template
<
class
Scalar
>
static
Scalar
gasDiffCoeff
(
Scalar
temperature
,
Scalar
pressure
)
{
// DUNE_THROW(Dune::NotImplemented, "diffusion coefficient for gasous water and methane");
typedef
Dumux
::
Components
::
H2O
<
Scalar
>
H2O
;
typedef
Dumux
::
Components
::
CH4
<
Scalar
>
CH4
;
...
...
@@ -86,8 +84,8 @@ public:
/*!
* \brief Diffusion coefficient \f$\mathrm{[m^2/s]}\f$ for molecular methane in liquid water.
* \param temperature
t
he temperature \f$\mathrm{[K]}\f$
* \param pressure
t
he phase pressure \f$\mathrm{[Pa]}\f$
* \param temperature
T
he temperature \f$\mathrm{[K]}\f$
* \param pressure
T
he phase pressure \f$\mathrm{[Pa]}\f$
*
* The empirical equations for estimating the diffusion coefficient in
* infinite solution which are presented in Reid, 1987 \cite reid1987 all show a
...
...
dumux/material/binarycoefficients/h2o_mesitylene.hh
View file @
22fb403a
...
...
@@ -39,7 +39,7 @@ class H2O_Mesitylene
public:
/*!
* \brief Henry coefficient \f$\mathrm{[Pa]}\f$ for mesitylene in liquid water.
* \param temperature
t
he temperature \f$\mathrm{[K]}\f$
* \param temperature
T
he temperature \f$\mathrm{[K]}\f$
* See:
* R. Sander (1999) \cite sander1999
*/
...
...
@@ -48,7 +48,7 @@ public:
{
// after Sanders
Scalar
sanderH
=
1.7e-1
;
// [M/atm]
//conversion to our Henry definition
//
conversion to our Henry definition
Scalar
dumuxH
=
sanderH
/
101.325
;
// has now [(mol/m^3)/Pa]
dumuxH
*=
18.02e-6
;
// multiplied by molar volume of reference phase = water
return
1.0
/
dumuxH
;
// [Pa]
...
...
@@ -56,8 +56,8 @@ public:
/*!
* \brief Binary diffusion coefficient \f$\mathrm{[m^2/s]}\f$ for molecular water and mesitylene.
* \param temperature
t
he temperature \f$\mathrm{[K]}\f$
* \param pressure
t
he pressure \f$\mathrm{[Pa]}\f$
* \param temperature
T
he temperature \f$\mathrm{[K]}\f$
* \param pressure
T
he pressure \f$\mathrm{[Pa]}\f$
*/
template
<
class
Scalar
>
static
Scalar
gasDiffCoeff
(
Scalar
temperature
,
Scalar
pressure
)
...
...
@@ -100,13 +100,13 @@ public:
const
Scalar
D_wm
=
(
B_
*
pow
(
temperature
,
1.6
)
*
sqrt
(
Mr
))
/
(
1e-5
*
pressure
*
pow
(
sigma_wm
,
2
)
*
Omega
);
// [cm^2/s]
return
D_wm
*
1e-4
;
//
[m^2/s]
return
D_wm
*
1e-4
;
// [m^2/s]
}
/*!
* \brief Diffusion coefficient \f$\mathrm{[m^2/s]}\f$ for mesitylene in liquid water.
* \param temperature
t
he temperature \f$\mathrm{[K]}\f$
* \param pressure
t
he pressure \f$\mathrm{[Pa]}\f$
* \param temperature
T
he temperature \f$\mathrm{[K]}\f$
* \param pressure
T
he pressure \f$\mathrm{[Pa]}\f$
*
* \note Returns just an order of magnitude.
*/
...
...
dumux/material/binarycoefficients/h2o_n2.hh
View file @
22fb403a
...
...
@@ -42,7 +42,7 @@ class H2O_N2
public:
/*!
* \brief Henry coefficient \f$\mathrm{[Pa]}\f$ for molecular nitrogen in liquid water.
* \param temperature
t
he temperature \f$\mathrm{[K]}\f$
* \param temperature
T
he temperature \f$\mathrm{[K]}\f$
*/
template
<
class
Scalar
>
static
Scalar
henry
(
Scalar
temperature
)
...
...
@@ -59,8 +59,8 @@ public:
* \brief Binary diffusion coefficient \f$\mathrm{[m^2/s]}\f$ for molecular water and nitrogen.
*
* Uses fullerMethod to determine the diffusion of water in nitrogen.
* \param temperature
t
he temperature \f$\mathrm{[K]}\f$
* \param pressure
t
he phase pressure \f$\mathrm{[Pa]}\f$
* \param temperature
T
he temperature \f$\mathrm{[K]}\f$
* \param pressure
T
he phase pressure \f$\mathrm{[Pa]}\f$
*/
template
<
class
Scalar
>
static
Scalar
gasDiffCoeff
(
Scalar
temperature
,
Scalar
pressure
)
...
...
@@ -78,8 +78,8 @@ public:
/*!
* \brief Diffusion coefficient \f$\mathrm{[m^2/s]}\f$ for molecular nitrogen in liquid water.
* \param temperature
t
he temperature \f$\mathrm{[K]}\f$
* \param pressure
t
he phase pressure \f$\mathrm{[Pa]}\f$
* \param temperature
T
he temperature \f$\mathrm{[K]}\f$
* \param pressure
T
he phase pressure \f$\mathrm{[Pa]}\f$
*
* The empirical equations for estimating the diffusion coefficient in
* infinite solution which are presented in Reid, 1987 all show a
...
...
dumux/material/binarycoefficients/h2o_o2.hh
View file @
22fb403a
...
...
@@ -42,7 +42,7 @@ class H2O_O2
public:
/*!
* \brief Henry coefficient \f$\mathrm{[Pa]}\f$ for molecular oxygen in liquid water.
* \param temperature
t
he temperature \f$\mathrm{[K]}\f$
* \param temperature
T
he temperature \f$\mathrm{[K]}\f$
*/
template
<
class
Scalar
>
static
Scalar
henry
(
Scalar
temperature
)
...
...
@@ -59,8 +59,8 @@ public:
* \brief Binary diffusion coefficient \f$\mathrm{[m^2/s]}\f$ for molecular water and oxygen.
*
* Uses fullerMethod to determine the diffusion of water in nitrogen.
* \param temperature
t
he temperature \f$\mathrm{[K]}\f$
* \param pressure
t
he phase pressure \f$\mathrm{[Pa]}\f$
* \param temperature
T
he temperature \f$\mathrm{[K]}\f$
* \param pressure
T
he phase pressure \f$\mathrm{[Pa]}\f$
*/
template
<
class
Scalar
>
static
Scalar
gasDiffCoeff
(
Scalar
temperature
,
Scalar
pressure
)
...
...
@@ -78,8 +78,8 @@ public:
/*!
* \brief Diffusion coefficient \f$\mathrm{[m^2/s]}\f$ for molecular oxygen in liquid water.
* \param temperature
t
he temperature \f$\mathrm{[K]}\f$
* \param pressure
t
he phase pressure \f$\mathrm{[Pa]}\f$
* \param temperature
T
he temperature \f$\mathrm{[K]}\f$
* \param pressure
T
he phase pressure \f$\mathrm{[Pa]}\f$
*
* The empirical equations for estimating the diffusion coefficient in
* infinite solution which are presented in Reid, 1987 all show a
...
...
dumux/material/binarycoefficients/h2o_xylene.hh
View file @
22fb403a
...
...
@@ -39,7 +39,7 @@ class H2O_Xylene
public:
/*!
* \brief Henry coefficient \f$\mathrm{[Pa]}\f$ for xylene in liquid water.
* \param temperature
t
he temperature \f$\mathrm{[K]}\f$
* \param temperature
T
he temperature \f$\mathrm{[K]}\f$
*
* See:
*
...
...
@@ -50,16 +50,16 @@ public:
{
// after Sander
Scalar
sanderH
=
1.5e-1
;
//[M/atm]
//conversion to our Henry definition
//
conversion to our Henry definition
Scalar
dumuxH
=
sanderH
/
101.325
;
// has now [(mol/m^3)/Pa]
dumuxH
*=
18.02e-6
;
//multiplied by molar volume of reference phase = water
dumuxH
*=
18.02e-6
;
//
multiplied by molar volume of reference phase = water
return
1.0
/
dumuxH
;
// [Pa]
}
/*!
* \brief Binary diffusion coefficient \f$\mathrm{[m^2/s]}\f$ for molecular water and xylene.
* \param temperature
t
he temperature \f$\mathrm{[K]}\f$
* \param pressure
t
he pressure \f$\mathrm{[Pa]}\f$
* \param temperature
T
he temperature \f$\mathrm{[K]}\f$
* \param pressure
T
he pressure \f$\mathrm{[Pa]}\f$
*
*/
template
<
class
Scalar
>
...
...
@@ -106,8 +106,8 @@ public:
/*!
* \brief Diffusion coefficient \f$\mathrm{[m^2/s]}\f$ for xylene in liquid water.
* \param temperature
t
he temperature \f$\mathrm{[K]}\f$
* \param pressure
t
he pressure \f$\mathrm{[Pa]}\f$
* \param temperature
T
he temperature \f$\mathrm{[K]}\f$
* \param pressure
T
he pressure \f$\mathrm{[Pa]}\f$
*
* \note Returns just an order of magnitude.
*/
...
...
dumux/material/binarycoefficients/n2_o2.hh
View file @
22fb403a
...
...
@@ -42,7 +42,7 @@ class N2_O2
public:
/*!
* \brief Henry coefficient \f$\mathrm{[Pa]}\f$ for molecular oxygen in liquid nitrogen.
* \param temperature
t
he temperature \f$\mathrm{[K]}\f$
* \param temperature
T
he temperature \f$\mathrm{[K]}\f$
*/
template
<
class
Scalar
>
static
Scalar
henry
(
Scalar
temperature
)
...
...
@@ -54,8 +54,8 @@ public:
* \brief Binary diffusion coefficient \f$\mathrm{[m^2/s]}\f$ for molecular oxygen in liquid nitrogen.
*
* Uses fullerMethod to determine the diffusion of water in nitrogen.
* \param temperature
t
he temperature \f$\mathrm{[K]}\f$
* \param pressure
t
he phase pressure \f$\mathrm{[Pa]}\f$
* \param temperature
T
he temperature \f$\mathrm{[K]}\f$
* \param pressure
T
he phase pressure \f$\mathrm{[Pa]}\f$
*/
template
<
class
Scalar
>
static
Scalar
gasDiffCoeff
(
Scalar
temperature
,
Scalar
pressure
)
...
...
@@ -72,8 +72,8 @@ public:
/*!
* \brief Diffusion coefficient \f$\mathrm{[m^2/s]}\f$ for molecular oxygen in liquid nitrogen.
* \param temperature
t
he temperature \f$\mathrm{[K]}\f$
* \param pressure
t
he phase pressure \f$\mathrm{[Pa]}\f$
* \param temperature
T
he temperature \f$\mathrm{[K]}\f$
* \param pressure
T
he phase pressure \f$\mathrm{[Pa]}\f$
*/
template
<
class
Scalar
>
static
Scalar
liquidDiffCoeff
(
Scalar
temperature
,
Scalar
pressure
)
...
...
dumux/material/components/air.hh
View file @
22fb403a
...
...
@@ -78,8 +78,8 @@ public:
*
* Ideal gas is assumed.
*
* \param temperature
t
emperature of component in \f$\mathrm{[K]}\f$
* \param pressure
p
ressure of phase in \f$\mathrm{[Pa]}\f$
* \param temperature
T
emperature of component in \f$\mathrm{[K]}\f$
* \param pressure
P
ressure of phase in \f$\mathrm{[Pa]}\f$
*/
static
Scalar
gasDensity
(
Scalar
temperature
,
Scalar
pressure
)
{
...
...
@@ -113,8 +113,8 @@ public:
*
* Ideal gas is assumed.
*
* \param temperature
t
emperature of component in \f$\mathrm{[K]}\f$
* \param density
d
ensity of component in \f$\mathrm{[kg/m^3]}\f$
* \param temperature
T
emperature of component in \f$\mathrm{[K]}\f$
* \param density
D
ensity of component in \f$\mathrm{[kg/m^3]}\f$
*/
static
Scalar
gasPressure
(
Scalar
temperature
,
Scalar
density
)
{
...
...
@@ -133,17 +133,16 @@ public:
* Accentric factor taken from: <BR>
* Adebiyi (2003) \cite adebiyi2003
*
* air is a non-polar substance,
* thus dipole moment mu is zero, as well the dimensionless dipole moment mu_r
* therefore not considered below
* the same holds for the correction value kappa for highly polar substances
* Air is a non-polar substance, thus dipole moment mu is zero as well as the dimensionless dipole moment mu_r.
* Therefore they are not considered below.
* The same holds for the correction value kappa for highly polar substances.
*
* This calculation was introduced into Dumux in 2012 although the method here
* is designed for general polar substances. Air, however, is (a) non-polar,
* and (b) there are more precise methods available
*
* \param temperature
t
emperature of component in \f$\mathrm{[K]}\f$
* \param pressure
p
ressure of component in \f$\mathrm{[Pa]}\f$
* \param temperature
T
emperature of component in \f$\mathrm{[K]}\f$
* \param pressure
P
ressure of component in \f$\mathrm{[Pa]}\f$
*/
static
Scalar
oldGasViscosity
(
Scalar
temperature
,
Scalar
pressure
)
{
...
...
@@ -180,8 +179,8 @@ public:
* It shows very reasonable results throughout realistic pressure and
* temperature ranges up to several hundred Kelvin and up to 500 bar
*
* \param temperature
t
emperature of component in \f$\mathrm{[K]}\f$
* \param pressure
p
ressure of component in \f$\mathrm{[Pa]}\f$
* \param temperature
T
emperature of component in \f$\mathrm{[K]}\f$
* \param pressure
P
ressure of component in \f$\mathrm{[Pa]}\f$
*/
static
Scalar
gasViscosity
(
Scalar
temperature
,
Scalar
pressure
)
{
...
...
@@ -204,8 +203,8 @@ public:
* Gas viscosity is not very dependent on pressure. Thus, for
* low pressures one might switch the pressure correction off
*
* \param temperature
t
emperature of component in \f$\mathrm{[K]}\f$
* \param pressure
p
ressure of component in \f$\mathrm{[Pa]}\f$
* \param temperature
T
emperature of component in \f$\mathrm{[K]}\f$
* \param pressure
P
ressure of component in \f$\mathrm{[Pa]}\f$
*/
static
Scalar
simpleGasViscosity
(
Scalar
temperature
,
Scalar
pressure
)
{
...
...
@@ -223,8 +222,8 @@ public:
* Since they use ''eta'' for dyn. viscosity, we do it as well for easier
* comparison with the paper
*
* \param temperature
t
emperature of component in \f$\mathrm{[K]}\f$
* \param pressure
p
ressure of component in \f$\mathrm{[Pa]}\f$
* \param temperature
T
emperature of component in \f$\mathrm{[K]}\f$
* \param pressure
P
ressure of component in \f$\mathrm{[Pa]}\f$
*/
static
Scalar
exactGasViscosity
(
Scalar
temperature
,
Scalar
pressure
)
{
...
...
@@ -260,8 +259,8 @@ public:
* \brief Specific enthalpy of Air \f$\mathrm{[J/kg]}\f$
* with 273.15 \f$ K \f$ as basis.
*
* \param temperature
t
emperature of component in \f$\mathrm{[K]}\f$
* \param pressure
p
ressure of component in \f$\mathrm{[Pa]}\f$
* \param temperature
T
emperature of component in \f$\mathrm{[K]}\f$
* \param pressure
P
ressure of component in \f$\mathrm{[Pa]}\f$
*
* Kays et al. (2005, 431ff) \cite kays2005 <BR>
*/
...
...
@@ -278,8 +277,8 @@ public:
* Exploiting the Ideal Gas assumption
* (\f$pv = R_{\textnormal{specific}} T\f$) gives: \f$u = h - R / M T \f$.
*