CreateChemicalSolverInterface.h File Reference

Detailed Description

Chemical-solver interface used in OGS operator-split reactive transport.

OpenGeoSys advances reactive transport by splitting it into two subproblems: (1) transport (advection / diffusion) in OpenGeoSys, and (2) local chemical reaction / speciation in an external geochemical solver.

The domain is partitioned into independent chemical systems. Each chemical system is identified by an integer chemical_system_id, typically mapped from a reactive mesh node or control volume. During a chemistry step, each chemical system is treated as a closed, well-mixed reactor. No mass is exchanged between systems during this step.

For each chemical_system_id, OpenGeoSys provides the external solver (e.g. PHREEQC) with the current chemical state, executes the solver, and reads back the reacted state (updated component totals, pH, mineral / porosity effects). These updated values then serve as the chemical state for the next transport solve in OpenGeoSys.

This header declares the factory for creating a concrete chemistry backend (e.g. a PHREEQC-based implementation).

Definition in file CreateChemicalSolverInterface.h.

#include <map>
#include <memory>
#include <string>
#include <vector>
#include "ChemicalSolverType.h"
#include "MathLib/LinAlg/GlobalLinearSolverType.h"

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Namespaces
namespace	BaseLib
namespace	MeshLib
namespace	ChemistryLib

Functions
template<ChemicalSolver chemical_solver>
std::unique_ptr< ChemicalSolverInterface >	ChemistryLib::createChemicalSolverInterface (std::vector< std::unique_ptr< MeshLib::Mesh > > const &meshes, std::map< std::string, std::unique_ptr< GlobalLinearSolver > > const &linear_solvers, BaseLib::ConfigTree const &config, std::string const &output_directory)