From 31dc566d10bb8381da2facef5e3aaf16f5551375 Mon Sep 17 00:00:00 2001
From: garibay-j <jaimegaribay.1@gmail.com>
Date: Fri, 9 Jul 2021 07:29:26 +0000
Subject: [PATCH] [CL] Use MPL to input amounts of ion exchanging species
---
.../CreateChemicalSolverInterface.cpp | 11 ++-
ChemistryLib/PhreeqcIO.cpp | 71 +++++++++++++------
ChemistryLib/PhreeqcIO.h | 3 -
ChemistryLib/PhreeqcIOData/ChemicalSystem.cpp | 5 ++
ChemistryLib/PhreeqcIOData/ChemicalSystem.h | 8 ++-
.../PhreeqcIOData/CreateChemicalSystem.cpp | 10 ++-
ChemistryLib/PhreeqcIOData/CreateExchange.cpp | 18 ++---
ChemistryLib/PhreeqcIOData/CreateExchange.h | 7 +-
ChemistryLib/PhreeqcIOData/Exchange.cpp | 7 +-
ChemistryLib/PhreeqcIOData/Exchange.h | 16 +++--
.../exchange/exchange_site/t_molality.md | 1 -
.../exchange_site/i_exchange_site.md | 0
.../exchange_site/t_ion_exchanging_species.md | 0
.../i_exchangers.md} | 0
.../CationExchange/exchange.prj | 26 +++++--
15 files changed, 120 insertions(+), 63 deletions(-)
delete mode 100644 Documentation/ProjectFile/prj/chemical_system/exchange/exchange_site/t_molality.md
rename Documentation/ProjectFile/prj/chemical_system/{exchange => exchangers}/exchange_site/i_exchange_site.md (100%)
rename Documentation/ProjectFile/prj/chemical_system/{exchange => exchangers}/exchange_site/t_ion_exchanging_species.md (100%)
rename Documentation/ProjectFile/prj/chemical_system/{exchange/i_exchange.md => exchangers/i_exchangers.md} (100%)
diff --git a/ChemistryLib/CreateChemicalSolverInterface.cpp b/ChemistryLib/CreateChemicalSolverInterface.cpp
index 448f87e5948..e3e6275b677 100644
--- a/ChemistryLib/CreateChemicalSolverInterface.cpp
+++ b/ChemistryLib/CreateChemicalSolverInterface.cpp
@@ -25,7 +25,6 @@
#include "PhreeqcIOData/CreateSurface.h"
#include "PhreeqcIOData/CreateUserPunch.h"
#include "PhreeqcIOData/Dump.h"
-#include "PhreeqcIOData/Exchange.h"
#include "PhreeqcIOData/Knobs.h"
#include "PhreeqcIOData/ReactionRate.h"
#include "PhreeqcIOData/Surface.h"
@@ -100,23 +99,21 @@ createChemicalSolverInterface<ChemicalSolver::Phreeqc>(
config.getConfigSubtreeOptional("surface"));
// exchange
- auto exchange = PhreeqcIOData::createExchange(
- //! \ogs_file_param{prj__chemical_system__exchange}
- config.getConfigSubtreeOptional("exchange"));
+ auto const& exchangers = chemical_system->exchangers;
// dump
auto const project_file_name = BaseLib::joinPaths(
output_directory,
BaseLib::extractBaseNameWithoutExtension(config.getProjectFileName()));
- if (!surface.empty() && !exchange.empty())
+ if (!surface.empty() && !exchangers.empty())
{
OGS_FATAL(
"Using surface and exchange reactions simultaneously is not "
"supported at the moment");
}
- auto dump = surface.empty() && exchange.empty()
+ auto dump = surface.empty() && exchangers.empty()
? nullptr
: std::make_unique<PhreeqcIOData::Dump>(project_file_name);
@@ -140,7 +137,7 @@ createChemicalSolverInterface<ChemicalSolver::Phreeqc>(
return std::make_unique<PhreeqcIOData::PhreeqcIO>(
std::move(project_file_name), std::move(path_to_database),
std::move(chemical_system), std::move(reaction_rates),
- std::move(surface), std::move(exchange), std::move(user_punch),
+ std::move(surface), std::move(user_punch),
std::move(output), std::move(dump), std::move(knobs));
}
diff --git a/ChemistryLib/PhreeqcIO.cpp b/ChemistryLib/PhreeqcIO.cpp
index f48e3b39398..41a517db190 100644
--- a/ChemistryLib/PhreeqcIO.cpp
+++ b/ChemistryLib/PhreeqcIO.cpp
@@ -28,12 +28,12 @@
#include "PhreeqcIOData/ChemicalSystem.h"
#include "PhreeqcIOData/Dump.h"
#include "PhreeqcIOData/EquilibriumReactant.h"
+#include "PhreeqcIOData/Exchange.h"
#include "PhreeqcIOData/KineticReactant.h"
#include "PhreeqcIOData/Knobs.h"
#include "PhreeqcIOData/Output.h"
#include "PhreeqcIOData/ReactionRate.h"
#include "PhreeqcIOData/Surface.h"
-#include "PhreeqcIOData/Exchange.h"
#include "PhreeqcIOData/UserPunch.h"
namespace ChemistryLib
@@ -71,15 +71,14 @@ void setAqueousSolution(std::vector<double> const& concentrations,
template <typename Reactant>
void initializeReactantMolality(Reactant& reactant,
GlobalIndexType const& chemical_system_id,
+ MaterialPropertyLib::Phase const& solid_phase,
+ MaterialPropertyLib::Phase const& liquid_phase,
MaterialPropertyLib::Medium const& medium,
ParameterLib::SpatialPosition const& pos,
double const t)
{
- auto const& solid_phase = medium.phase("Solid");
auto const& solid_constituent = solid_phase.component(reactant.name);
- auto const& liquid_phase = medium.phase("AqueousLiquid");
-
if (solid_constituent.hasProperty(
MaterialPropertyLib::PropertyType::molality))
{
@@ -124,12 +123,12 @@ void initializeReactantMolality(Reactant& reactant,
template <typename Reactant>
void setReactantMolality(Reactant& reactant,
GlobalIndexType const& chemical_system_id,
- MaterialPropertyLib::Medium const* medium,
+ MaterialPropertyLib::Phase const& solid_phase,
+ MaterialPropertyLib::Phase const& liquid_phase,
MaterialPropertyLib::VariableArray const& vars,
ParameterLib::SpatialPosition const& pos,
double const t, double const dt)
{
- auto const& solid_phase = medium->phase("Solid");
auto const& solid_constituent = solid_phase.component(reactant.name);
if (solid_constituent.hasProperty(
@@ -147,7 +146,6 @@ void setReactantMolality(Reactant& reactant,
(*reactant.volume_fraction_prev)[chemical_system_id] =
(*reactant.volume_fraction)[chemical_system_id];
- auto const& liquid_phase = medium->phase("AqueousLiquid");
auto const fluid_density =
liquid_phase[MaterialPropertyLib::PropertyType::density]
.template value<double>(vars, pos, t, dt);
@@ -166,6 +164,22 @@ void setReactantMolality(Reactant& reactant,
(*reactant.molality)[chemical_system_id];
}
+template <typename Exchanger>
+void initializeExchangerMolality(Exchanger& exchanger,
+ GlobalIndexType const& chemical_system_id,
+ MaterialPropertyLib::Phase const& solid_phase,
+ ParameterLib::SpatialPosition const& pos,
+ double const t)
+{
+ auto const& solid_constituent = solid_phase.component(exchanger.name);
+
+ auto const molality =
+ solid_constituent[MaterialPropertyLib::PropertyType::molality]
+ .template initialValue<double>(pos, t);
+
+ (*exchanger.molality)[chemical_system_id] = molality;
+}
+
template <typename Reactant>
void updateReactantVolumeFraction(Reactant& reactant,
GlobalIndexType const& chemical_system_id,
@@ -243,7 +257,6 @@ PhreeqcIO::PhreeqcIO(std::string const& project_file_name,
std::unique_ptr<ChemicalSystem>&& chemical_system,
std::vector<ReactionRate>&& reaction_rates,
std::vector<SurfaceSite>&& surface,
- std::vector<ExchangeSite>&& exchange,
std::unique_ptr<UserPunch>&& user_punch,
std::unique_ptr<Output>&& output,
std::unique_ptr<Dump>&& dump,
@@ -253,7 +266,6 @@ PhreeqcIO::PhreeqcIO(std::string const& project_file_name,
_chemical_system(std::move(chemical_system)),
_reaction_rates(std::move(reaction_rates)),
_surface(std::move(surface)),
- _exchange(std::move(exchange)),
_user_punch(std::move(user_punch)),
_output(std::move(output)),
_dump(std::move(dump)),
@@ -314,16 +326,25 @@ void PhreeqcIO::initializeChemicalSystemConcrete(
setAqueousSolution(concentrations, chemical_system_id,
*_chemical_system->aqueous_solution);
+ auto const& solid_phase = medium.phase("Solid");
+ auto const& liquid_phase = medium.phase("AqueousLiquid");
+
for (auto& kinetic_reactant : _chemical_system->kinetic_reactants)
{
- initializeReactantMolality(kinetic_reactant, chemical_system_id, medium,
- pos, t);
+ initializeReactantMolality(kinetic_reactant, chemical_system_id,
+ solid_phase, liquid_phase, medium, pos, t);
}
for (auto& equilibrium_reactant : _chemical_system->equilibrium_reactants)
{
initializeReactantMolality(equilibrium_reactant, chemical_system_id,
- medium, pos, t);
+ solid_phase, liquid_phase, medium, pos, t);
+ }
+
+ for (auto& exchanger : _chemical_system->exchangers)
+ {
+ initializeExchangerMolality(exchanger, chemical_system_id, solid_phase, pos,
+ t);
}
}
@@ -337,16 +358,19 @@ void PhreeqcIO::setChemicalSystemConcrete(
setAqueousSolution(concentrations, chemical_system_id,
*_chemical_system->aqueous_solution);
+ auto const& solid_phase = medium->phase("Solid");
+ auto const& liquid_phase = medium->phase("AqueousLiquid");
+
for (auto& kinetic_reactant : _chemical_system->kinetic_reactants)
{
- setReactantMolality(kinetic_reactant, chemical_system_id, medium, vars,
- pos, t, dt);
+ setReactantMolality(kinetic_reactant, chemical_system_id, solid_phase,
+ liquid_phase, vars, pos, t, dt);
}
for (auto& equilibrium_reactant : _chemical_system->equilibrium_reactants)
{
- setReactantMolality(equilibrium_reactant, chemical_system_id, medium,
- vars, pos, t, dt);
+ setReactantMolality(equilibrium_reactant, chemical_system_id,
+ solid_phase, liquid_phase, vars, pos, t, dt);
}
}
@@ -508,8 +532,8 @@ std::ostream& operator<<(std::ostream& os, PhreeqcIO const& phreeqc_io)
os << "SAVE solution " << chemical_system_id + 1 << "\n";
}
- auto const& exchange = phreeqc_io._exchange;
- if (!exchange.empty())
+ auto const& exchangers = phreeqc_io._chemical_system->exchangers;
+ if (!exchangers.empty())
{
os << "EXCHANGE " << chemical_system_id + 1 << "\n";
std::size_t const aqueous_solution_id =
@@ -517,7 +541,10 @@ std::ostream& operator<<(std::ostream& os, PhreeqcIO const& phreeqc_io)
? chemical_system_id + 1
: phreeqc_io._num_chemical_systems + chemical_system_id + 1;
os << "-equilibrate with solution " << aqueous_solution_id << "\n";
- os << exchange << "\n";
+ for (auto const& exchanger : exchangers)
+ {
+ exchanger.print(os, chemical_system_id);
+ }
os << "SAVE solution " << chemical_system_id + 1 << "\n";
}
@@ -581,16 +608,16 @@ std::istream& operator>>(std::istream& in, PhreeqcIO& phreeqc_io)
auto const& dropped_item_ids = output.dropped_item_ids;
auto const& surface = phreeqc_io._surface;
- auto const& exchange = phreeqc_io._exchange;
+ auto const& exchangers = phreeqc_io._chemical_system->exchangers;
- if (!surface.empty() && !exchange.empty())
+ if (!surface.empty() && !exchangers.empty())
{
OGS_FATAL(
"Using surface and exchange reactions simultaneously is not "
"supported at the moment");
}
- int const num_skipped_lines = surface.empty() && exchange.empty() ? 1 : 2;
+ int const num_skipped_lines = surface.empty() && exchangers.empty() ? 1 : 2;
auto& equilibrium_reactants =
phreeqc_io._chemical_system->equilibrium_reactants;
diff --git a/ChemistryLib/PhreeqcIO.h b/ChemistryLib/PhreeqcIO.h
index dc73f5fa138..22d31ff3f7f 100644
--- a/ChemistryLib/PhreeqcIO.h
+++ b/ChemistryLib/PhreeqcIO.h
@@ -28,7 +28,6 @@ struct ChemicalSystem;
struct ReactionRate;
struct Output;
struct SurfaceSite;
-struct ExchangeSite;
struct Dump;
struct UserPunch;
@@ -40,7 +39,6 @@ public:
std::unique_ptr<ChemicalSystem>&& chemical_system,
std::vector<ReactionRate>&& reaction_rates,
std::vector<SurfaceSite>&& surface,
- std::vector<ExchangeSite>&& exchange,
std::unique_ptr<UserPunch>&& user_punch,
std::unique_ptr<Output>&& output,
std::unique_ptr<Dump>&& dump,
@@ -109,7 +107,6 @@ private:
std::unique_ptr<ChemicalSystem> _chemical_system;
std::vector<ReactionRate> const _reaction_rates;
std::vector<SurfaceSite> const _surface;
- std::vector<ExchangeSite> const _exchange;
std::unique_ptr<UserPunch> _user_punch;
std::unique_ptr<Output> const _output;
std::unique_ptr<Dump> const _dump;
diff --git a/ChemistryLib/PhreeqcIOData/ChemicalSystem.cpp b/ChemistryLib/PhreeqcIOData/ChemicalSystem.cpp
index 67367d585a9..c3b704f0ee0 100644
--- a/ChemistryLib/PhreeqcIOData/ChemicalSystem.cpp
+++ b/ChemistryLib/PhreeqcIOData/ChemicalSystem.cpp
@@ -51,6 +51,11 @@ void ChemicalSystem::initialize(std::size_t const num_chemical_systems)
equilibrium_reactant.volume_fraction->resize(num_chemical_systems);
equilibrium_reactant.volume_fraction_prev->resize(num_chemical_systems);
}
+
+ for (auto& exchanger : exchangers)
+ {
+ exchanger.molality->resize(num_chemical_systems);
+ }
}
} // namespace PhreeqcIOData
} // namespace ChemistryLib
diff --git a/ChemistryLib/PhreeqcIOData/ChemicalSystem.h b/ChemistryLib/PhreeqcIOData/ChemicalSystem.h
index a2bced5dade..9e50e9cb5ff 100644
--- a/ChemistryLib/PhreeqcIOData/ChemicalSystem.h
+++ b/ChemistryLib/PhreeqcIOData/ChemicalSystem.h
@@ -15,6 +15,7 @@
#include "AqueousSolution.h"
#include "EquilibriumReactant.h"
+#include "Exchange.h"
#include "KineticReactant.h"
namespace ChemistryLib
@@ -25,10 +26,12 @@ struct ChemicalSystem
{
ChemicalSystem(std::unique_ptr<AqueousSolution>&& aqueous_solution_,
std::vector<KineticReactant>&& kinetic_reactants_,
- std::vector<EquilibriumReactant>&& equilibrium_reactants_)
+ std::vector<EquilibriumReactant>&& equilibrium_reactants_,
+ std::vector<ExchangeSite>&& exchangers_)
: aqueous_solution(std::move(aqueous_solution_)),
kinetic_reactants(std::move(kinetic_reactants_)),
- equilibrium_reactants(std::move(equilibrium_reactants_))
+ equilibrium_reactants(std::move(equilibrium_reactants_)),
+ exchangers(std::move(exchangers_))
{
}
@@ -37,6 +40,7 @@ struct ChemicalSystem
std::unique_ptr<AqueousSolution> aqueous_solution;
std::vector<KineticReactant> kinetic_reactants;
std::vector<EquilibriumReactant> equilibrium_reactants;
+ std::vector<ExchangeSite> exchangers;
};
} // namespace PhreeqcIOData
} // namespace ChemistryLib
diff --git a/ChemistryLib/PhreeqcIOData/CreateChemicalSystem.cpp b/ChemistryLib/PhreeqcIOData/CreateChemicalSystem.cpp
index eebaf944793..6319c899a41 100644
--- a/ChemistryLib/PhreeqcIOData/CreateChemicalSystem.cpp
+++ b/ChemistryLib/PhreeqcIOData/CreateChemicalSystem.cpp
@@ -14,8 +14,10 @@
#include "ChemicalSystem.h"
#include "CreateAqueousSolution.h"
#include "CreateEquilibriumReactants.h"
+#include "CreateExchange.h"
#include "CreateKineticReactant.h"
#include "EquilibriumReactant.h"
+#include "Exchange.h"
#include "KineticReactant.h"
namespace ChemistryLib
@@ -40,9 +42,15 @@ std::unique_ptr<ChemicalSystem> createChemicalSystem(
//! \ogs_file_param{prj__chemical_system__equilibrium_reactants}
config.getConfigSubtreeOptional("equilibrium_reactants"), mesh);
+ // exchangers
+ auto exchangers = createExchange(
+ //! \ogs_file_param{prj__chemical_system__exchangers}
+ config.getConfigSubtreeOptional("exchangers"), mesh);
+
return std::make_unique<ChemicalSystem>(std::move(aqueous_solution),
std::move(kinetic_reactants),
- std::move(equilibrium_reactants));
+ std::move(equilibrium_reactants),
+ std::move(exchangers));
}
} // namespace PhreeqcIOData
} // namespace ChemistryLib
diff --git a/ChemistryLib/PhreeqcIOData/CreateExchange.cpp b/ChemistryLib/PhreeqcIOData/CreateExchange.cpp
index a51962314b3..d9eaab0b1ee 100644
--- a/ChemistryLib/PhreeqcIOData/CreateExchange.cpp
+++ b/ChemistryLib/PhreeqcIOData/CreateExchange.cpp
@@ -12,36 +12,36 @@
#include "BaseLib/ConfigTree.h"
#include "Exchange.h"
+#include "MeshLib/Mesh.h"
namespace ChemistryLib
{
namespace PhreeqcIOData
{
std::vector<ExchangeSite> createExchange(
- std::optional<BaseLib::ConfigTree> const& config)
+ std::optional<BaseLib::ConfigTree> const& config, MeshLib::Mesh& mesh)
{
if (!config)
{
return {};
}
- std::vector<ExchangeSite> exchange;
+ std::vector<ExchangeSite> exchangers;
for (auto const& site_config :
- //! \ogs_file_param{prj__chemical_system__exchange__exchange_site}
+ //! \ogs_file_param{prj__chemical_system__exchangers__exchange_site}
config->getConfigSubtreeList("exchange_site"))
{
- //! \ogs_file_param{prj__chemical_system__exchange__exchange_site__ion_exchanging_species}
+ //! \ogs_file_param{prj__chemical_system__exchangers__exchange_site__ion_exchanging_species}
auto name = site_config.getConfigParameter<std::string>(
"ion_exchanging_species");
- auto const molality =
- //! \ogs_file_param{prj__chemical_system__exchange__exchange_site__molality}
- site_config.getConfigParameter<double>("molality");
+ auto const molality = MeshLib::getOrCreateMeshProperty<double>(
+ mesh, name, MeshLib::MeshItemType::IntegrationPoint, 1);
- exchange.emplace_back(std::move(name), molality);
+ exchangers.emplace_back(std::move(name), molality);
}
- return exchange;
+ return exchangers;
}
} // namespace PhreeqcIOData
} // namespace ChemistryLib
diff --git a/ChemistryLib/PhreeqcIOData/CreateExchange.h b/ChemistryLib/PhreeqcIOData/CreateExchange.h
index 4fdbb9fc9a2..54221e658a0 100644
--- a/ChemistryLib/PhreeqcIOData/CreateExchange.h
+++ b/ChemistryLib/PhreeqcIOData/CreateExchange.h
@@ -18,6 +18,11 @@ namespace BaseLib
class ConfigTree;
}
+namespace MeshLib
+{
+class Mesh;
+}
+
namespace ChemistryLib
{
namespace PhreeqcIOData
@@ -25,6 +30,6 @@ namespace PhreeqcIOData
struct ExchangeSite;
std::vector<ExchangeSite> createExchange(
- std::optional<BaseLib::ConfigTree> const& config);
+ std::optional<BaseLib::ConfigTree> const& config, MeshLib::Mesh& mesh);
} // namespace PhreeqcIOData
} // namespace ChemistryLib
diff --git a/ChemistryLib/PhreeqcIOData/Exchange.cpp b/ChemistryLib/PhreeqcIOData/Exchange.cpp
index ac7786785a3..142da1d5a37 100644
--- a/ChemistryLib/PhreeqcIOData/Exchange.cpp
+++ b/ChemistryLib/PhreeqcIOData/Exchange.cpp
@@ -16,11 +16,10 @@ namespace ChemistryLib
{
namespace PhreeqcIOData
{
-std::ostream& operator<<(std::ostream& os, ExchangeSite const& exchange_site)
+void ExchangeSite::print(std::ostream& os,
+ std::size_t const chemical_system_id) const
{
- os << exchange_site.ion_exchanging_species << " " << exchange_site.molality << "\n";
-
- return os;
+ os << name << " " << (*molality)[chemical_system_id] << "\n";
}
} // namespace PhreeqcIOData
} // namespace ChemistryLib
diff --git a/ChemistryLib/PhreeqcIOData/Exchange.h b/ChemistryLib/PhreeqcIOData/Exchange.h
index ed591c95f0e..92c0e38b0e8 100644
--- a/ChemistryLib/PhreeqcIOData/Exchange.h
+++ b/ChemistryLib/PhreeqcIOData/Exchange.h
@@ -12,6 +12,9 @@
#include <iosfwd>
#include <string>
+#include <vector>
+
+#include "MeshLib/PropertyVector.h"
namespace BaseLib
{
@@ -24,17 +27,16 @@ namespace PhreeqcIOData
{
struct ExchangeSite
{
- ExchangeSite(std::string ion_exchanging_species_, double const molality_)
- : ion_exchanging_species(std::move(ion_exchanging_species_)),
- molality(molality_)
+ ExchangeSite(std::string name_, MeshLib::PropertyVector<double>* molality_)
+ : name(std::move(name_)), molality(molality_)
{
}
- std::string const ion_exchanging_species;
- double const molality;
-};
+ void print(std::ostream& os, std::size_t const chemical_system_id) const;
-std::ostream& operator<<(std::ostream& os, ExchangeSite const& exchange_site);
+ std::string const name;
+ MeshLib::PropertyVector<double>* molality;
+};
} // namespace PhreeqcIOData
} // namespace ChemistryLib
diff --git a/Documentation/ProjectFile/prj/chemical_system/exchange/exchange_site/t_molality.md b/Documentation/ProjectFile/prj/chemical_system/exchange/exchange_site/t_molality.md
deleted file mode 100644
index 5f1ab418601..00000000000
--- a/Documentation/ProjectFile/prj/chemical_system/exchange/exchange_site/t_molality.md
+++ /dev/null
@@ -1 +0,0 @@
-This keyword is used to input the amount (mol/kg of water) of the exchange site.
\ No newline at end of file
diff --git a/Documentation/ProjectFile/prj/chemical_system/exchange/exchange_site/i_exchange_site.md b/Documentation/ProjectFile/prj/chemical_system/exchangers/exchange_site/i_exchange_site.md
similarity index 100%
rename from Documentation/ProjectFile/prj/chemical_system/exchange/exchange_site/i_exchange_site.md
rename to Documentation/ProjectFile/prj/chemical_system/exchangers/exchange_site/i_exchange_site.md
diff --git a/Documentation/ProjectFile/prj/chemical_system/exchange/exchange_site/t_ion_exchanging_species.md b/Documentation/ProjectFile/prj/chemical_system/exchangers/exchange_site/t_ion_exchanging_species.md
similarity index 100%
rename from Documentation/ProjectFile/prj/chemical_system/exchange/exchange_site/t_ion_exchanging_species.md
rename to Documentation/ProjectFile/prj/chemical_system/exchangers/exchange_site/t_ion_exchanging_species.md
diff --git a/Documentation/ProjectFile/prj/chemical_system/exchange/i_exchange.md b/Documentation/ProjectFile/prj/chemical_system/exchangers/i_exchangers.md
similarity index 100%
rename from Documentation/ProjectFile/prj/chemical_system/exchange/i_exchange.md
rename to Documentation/ProjectFile/prj/chemical_system/exchangers/i_exchangers.md
diff --git a/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/CationExchange/exchange.prj b/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/CationExchange/exchange.prj
index eb2a96d0f75..9e6f4286a75 100644
--- a/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/CationExchange/exchange.prj
+++ b/Tests/Data/Parabolic/ComponentTransport/ReactiveTransport/CationExchange/exchange.prj
@@ -167,6 +167,21 @@
</property>
</properties>
</phase>
+ <phase>
+ <type>Solid</type>
+ <components>
+ <component>
+ <name>X</name>
+ <properties>
+ <property>
+ <name>molality</name>
+ <type>Constant</type>
+ <value>1.1e-3</value>
+ </property>
+ </properties>
+ </component>
+ </components>
+ </phase>
</phases>
<properties>
<property>
@@ -439,12 +454,11 @@
</components>
<charge_balance>pH</charge_balance>
</solution>
- <exchange>
- <exchange_site>
- <ion_exchanging_species>X</ion_exchanging_species>
- <molality>1.1e-3</molality>
- </exchange_site>
- </exchange>
+ <exchangers>
+ <exchange_site>
+ <ion_exchanging_species>X</ion_exchanging_species>
+ </exchange_site>
+ </exchangers>
<knobs>
<max_iter>500</max_iter>
<relative_convergence_tolerance>1e-12</relative_convergence_tolerance>
--
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