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reactive_transport.cpp
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Sun, Sep 29, 21:16
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Tue, Oct 1, 21:16 (2 d)
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rSPECMICP SpecMiCP / ReactMiCP
reactive_transport.cpp
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#include "catch.hpp"
#include "utils.hpp"
#include "reactmicp/systems/saturated_diffusion/boundary_conditions.hpp"
#include "reactmicp/systems/saturated_diffusion/reactive_transport_solver.hpp"
#include <fstream>
using
namespace
specmicp
;
using
namespace
specmicp
::
reactmicp
;
using
namespace
specmicp
::
reactmicp
::
systems
;
using
namespace
specmicp
::
reactmicp
::
systems
::
siasaturated
;
TEST_CASE
(
"reactive transport solver"
,
"[reactive transport, speciation, dfpm, solver]"
)
{
specmicp
::
stdlog
::
ReportLevel
()
=
specmicp
::
logger
::
Warning
;
specmicp
::
logger
::
ErrFile
::
stream
()
=
&
std
::
cerr
;
int
nb_nodes
=
10
;
std
::
shared_ptr
<
database
::
DataContainer
>
database
=
get_test_carbo_database
();
std
::
shared_ptr
<
mesh
::
Mesh1D
>
themesh
=
std
::
make_shared
<
mesh
::
Mesh1D
>
(
nb_nodes
-
1
,
0.1
,
2.5
);
auto
parameters
=
std
::
make_shared
<
SaturatedDiffusionTransportParameters
>
(
1e-4
,
0.2
);
EquilibriumState
initial_state
=
sample_carbo_composition
(
database
,
0.02
);
// scaling {
double
volume
=
initial_state
.
volume_minerals
();
volume
/=
(
1
-
parameters
->
porosity
(
1
)
);
double
scale
=
themesh
->
cell_volume
(
1
)
*
1e-6
/
volume
;
initial_state
.
scale_condensed
(
scale
);
// }
SIABoundaryConditions
bcs
(
nb_nodes
);
bcs
.
list_initial_states
.
push_back
(
sample_carbo_composition
(
database
));
bcs
.
list_initial_states
.
push_back
(
blank_composition
(
database
));
bcs
.
bs_types
[
0
]
=
BoundaryConditionType
::
FixedComposition
;
bcs
.
initial_states
[
0
]
=
1
;
SECTION
(
"Initialization"
)
{
SIASaturatedReactiveTransportSolver
solver
(
themesh
,
database
,
parameters
);
solver
.
apply_boundary_conditions
(
bcs
);
SIASaturatedVariables
&
variables
=
solver
.
get_variables
();
REQUIRE
(
std
::
abs
(
variables
.
mineral_amount
(
1
,
1
)
-
bcs
.
list_initial_states
[
0
].
moles_mineral
(
1
))
<
1e-10
);
REQUIRE
(
std
::
abs
(
variables
.
component_concentration
(
1
,
1
)
-
bcs
.
list_initial_states
[
0
].
molality_component
(
1
))
<
1e-10
);
REQUIRE
(
std
::
abs
(
variables
.
mineral_amount
(
0
,
1
)
-
bcs
.
list_initial_states
[
1
].
moles_mineral
(
1
))
<
1e-10
);
REQUIRE
(
std
::
abs
(
variables
.
component_concentration
(
0
,
1
)
-
bcs
.
list_initial_states
[
1
].
molality_component
(
1
))
<
1e-10
);
}
SECTION
(
"Solving"
)
{
std
::
ofstream
output
;
output
.
open
(
"out.dat"
);
SIASaturatedReactiveTransportSolver
solver
(
themesh
,
database
,
parameters
);
solver
.
apply_boundary_conditions
(
bcs
);
for
(
auto
it
=
database
->
labels_basis
.
begin
();
it
!=
database
->
labels_basis
.
end
();
++
it
)
{
std
::
cout
<<
*
it
<<
" "
;
}
std
::
cout
<<
std
::
endl
;
std
::
cout
<<
database
->
nu_mineral
<<
std
::
endl
;
solver
.
use_sia
(
50
);
double
dt
=
100
;
double
total
=
0
;
for
(
int
k
=
0
;
k
<
10000
;
++
k
)
{
std
::
cout
<<
" iterations : "
<<
k
<<
std
::
endl
;
SIASaturatedReactiveTransportSolverReturnCode
retcode
=
solver
.
solve_timestep
(
dt
);
REQUIRE
(
retcode
==
SIASaturatedReactiveTransportSolverReturnCode
::
Success
);
SIASaturatedVariables
&
variables
=
solver
.
get_variables
();
output
<<
total
<<
" "
<<
total
/
(
3600.0
*
24.0
);
for
(
int
node:
themesh
->
range_nodes
())
{
output
<<
" "
<<
variables
.
nodal_component_update_total_amount
(
node
,
3
);
}
output
<<
std
::
endl
;
total
+=
dt
;
}
output
.
close
();
}
}
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