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pressure_equation.cpp
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Sat, Sep 28, 05:57
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rSPECMICP SpecMiCP / ReactMiCP
pressure_equation.cpp
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#include "catch.hpp"
#include "reactmicp/systems/unsaturated/pressure_equation.hpp"
#include "reactmicp/systems/unsaturated/variables.hpp"
#include "reactmicp/systems/unsaturated/variables_box.hpp"
#include "reactmicp/systems/unsaturated/variables_interface.hpp"
#include "reactmicp/systems/unsaturated/boundary_conditions.hpp"
#include "specmicp_database/database.hpp"
#include "dfpm/meshes/generic_mesh1d.hpp"
#include "dfpm/solver/parabolic_driver.hpp"
#include "specmicp_common/physics/constants.hpp"
#include <iostream>
using
namespace
specmicp
;
using
namespace
specmicp
::
mesh
;
using
namespace
specmicp
::
reactmicp
::
systems
::
unsaturated
;
static
scalar_t
one
(
index_t
node
,
scalar_t
saturation
)
{
return
1.0
;}
static
constexpr
scalar_t
rt
=
constants
::
gas_constant
*
(
273.15
+
25
);
static
specmicp
::
database
::
RawDatabasePtr
get_database
()
{
static
database
::
RawDatabasePtr
raw_data
{
nullptr
};
if
(
raw_data
==
nullptr
)
{
specmicp
::
database
::
Database
thedatabase
(
TEST_CEMDATA_PATH
);
thedatabase
.
keep_only_components
({
"H2O"
,
"H[+]"
,
"Ca[2+]"
,
"Si(OH)4"
});
raw_data
=
thedatabase
.
get_database
();
raw_data
->
freeze_db
();
}
return
raw_data
;
}
TEST_CASE
(
"Pressure equation"
,
"[pressure]"
)
{
index_t
nb_nodes
=
10
;
scalar_t
dx
=
0.1
;
scalar_t
cross_section
=
1.0
;
auto
the_mesh
=
uniform_mesh1d
({
dx
,
nb_nodes
,
cross_section
});
auto
raw_data
=
get_database
();
VariablesInterface
vars_interface
(
the_mesh
,
raw_data
,
{
0
,});
vars_interface
.
set_liquid_saturation
(
0.0
);
vars_interface
.
set_partial_pressure
(
0
,
0.5
);
vars_interface
.
set_partial_pressure
(
0
,
2
,
0.8
);
vars_interface
.
set_porosity
(
0.5
);
vars_interface
.
set_relative_gas_diffusivity_model
(
one
);
vars_interface
.
set_resistance_gas_diffusivity
(
1.0
);
vars_interface
.
set_binary_gas_diffusivity
(
0
,
1.0
);
auto
bcs
=
BoundaryConditions
::
make
(
the_mesh
->
nb_nodes
(),
raw_data
->
nb_component
());
bcs
->
add_fixed_node
(
0
);
SECTION
(
"Simple Residuals"
)
{
UnsaturatedVariablesPtr
vars
=
vars_interface
.
get_variables
();
PressureVariableBox
pressure_vars
=
vars
->
get_vapor_pressure_variables
();
MainVariable
&
pressure
=
pressure_vars
.
partial_pressure
;
PressureEquation
equation
(
0
,
the_mesh
,
pressure_vars
,
bcs
);
REQUIRE
(
equation
.
get_neq
()
==
9
);
Vector
residuals
;
equation
.
compute_residuals
(
pressure
.
variable
,
pressure
.
velocity
,
residuals
);
std
::
cout
<<
residuals
<<
std
::
endl
;
REQUIRE
(
residuals
(
0
)
==
Approx
(
-
(
0.8
-
0.5
)
/
0.1
/
rt
).
epsilon
(
1e-6
));
REQUIRE
(
residuals
(
1
)
==
Approx
(
2
*
(
0.8
-
0.5
)
/
0.1
/
rt
).
epsilon
(
1e-6
));
Eigen
::
SparseMatrix
<
scalar_t
>
jacobian
;
equation
.
compute_jacobian
(
pressure
.
variable
,
pressure
.
velocity
,
jacobian
,
1.0
);
auto
mat
=
jacobian
.
toDense
();
REQUIRE
(
mat
(
1
,
0
)
==
Approx
(
-
1
/
0.1
/
rt
).
epsilon
(
1e-6
));
REQUIRE
(
mat
(
1
,
1
)
==
Approx
(
0.1
/
2.0
*
0.5
*
0.5
/
rt
+
2
*
1
/
0.1
/
rt
).
epsilon
(
1e-4
));
}
SECTION
(
"Solving the system"
)
{
std
::
cout
<<
"=========
\n
Pressure Equation
\n
=======
\n
"
;
UnsaturatedVariablesPtr
vars
=
vars_interface
.
get_variables
();
PressureVariableBox
pressure_vars
=
vars
->
get_vapor_pressure_variables
();
MainVariable
&
pressure
=
pressure_vars
.
partial_pressure
;
PressureEquation
equation
(
0
,
the_mesh
,
pressure_vars
,
bcs
);
dfpmsolver
::
ParabolicDriver
<
PressureEquation
>
solver
(
equation
);
dfpmsolver
::
ParabolicDriverReturnCode
retcode
=
solver
.
solve_timestep
(
0.01
,
pressure
.
variable
);
REQUIRE
((
int
)
retcode
==
(
int
)
dfpmsolver
::
ParabolicDriverReturnCode
::
ResidualMinimized
);
CHECK
(
pressure
.
variable
(
0
)
==
0.5
);
for
(
index_t
node
=
1
;
node
<
10
;
++
node
)
{
CHECK
(
pressure
(
node
)
>=
0.5
);
CHECK
(
pressure
(
node
)
<
0.8
);
}
std
::
cout
<<
pressure
.
variable
<<
std
::
endl
;
for
(
int
i
=
0
;
i
<
500
;
++
i
)
{
dfpmsolver
::
ParabolicDriverReturnCode
retcode
=
solver
.
solve_timestep
(
0.2
,
pressure
.
variable
);
REQUIRE
((
int
)
retcode
==
(
int
)
dfpmsolver
::
ParabolicDriverReturnCode
::
ResidualMinimized
);
}
for
(
index_t
node
=
0
;
node
<
10
;
++
node
)
{
CHECK
(
pressure
(
node
)
==
Approx
(
0.5
).
epsilon
(
1e-6
));
}
std
::
cout
<<
pressure
.
variable
<<
std
::
endl
;
}
SECTION
(
"Solving with chemistry rate"
)
{
std
::
cout
<<
"=========
\n
Pressure Equation - chem rate
\n
=======
\n
"
;
UnsaturatedVariablesPtr
vars
=
vars_interface
.
get_variables
();
PressureVariableBox
pressure_vars
=
vars
->
get_vapor_pressure_variables
();
MainVariable
&
pressure
=
pressure_vars
.
partial_pressure
;
PressureEquation
equation
(
0
,
the_mesh
,
pressure_vars
,
bcs
);
dfpmsolver
::
ParabolicDriver
<
PressureEquation
>
solver
(
equation
);
dfpmsolver
::
ParabolicDriverReturnCode
retcode
;
solver
.
initialize_timestep
(
0.01
,
pressure
.
variable
);
scalar_t
res
=
10
;
int
cnt
=
0
;
while
(
res
>
1e-4
and
cnt
<
100
)
{
retcode
=
solver
.
restart_timestep
(
pressure
.
variable
);
REQUIRE
((
int
)
retcode
==
(
int
)
dfpmsolver
::
ParabolicDriverReturnCode
::
ResidualMinimized
);
pressure
.
chemistry_rate
=
pressure
.
transport_fluxes
;
solver
.
velocity
().
setZero
();
pressure
.
set_constant
(
0.5
);
pressure
.
variable
(
2
)
=
0.8
;
Vector
residual
;
solver
.
compute_residuals
(
pressure
.
variable
,
residual
);
res
=
residual
.
norm
();
++
cnt
;
}
CHECK
(
cnt
<
100
);
CHECK
(
pressure
.
variable
(
0
)
==
0.5
);
for
(
index_t
node
=
1
;
node
<
10
;
++
node
)
{
CHECK
(
pressure
(
node
)
>=
0.5
);
CHECK
(
pressure
(
node
)
<=
0.8
);
CHECK
(
pressure
.
velocity
(
node
)
==
Approx
(
0.0
));
}
std
::
cout
<<
pressure
.
variable
<<
std
::
endl
;
}
}
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