Line data    Source code

       1             : //* This file is part of the MOOSE framework
       2             : //* https://mooseframework.inl.gov
       3             : //*
       4             : //* All rights reserved, see COPYRIGHT for full restrictions
       5             : //* https://github.com/idaholab/moose/blob/master/COPYRIGHT
       6             : //*
       7             : //* Licensed under LGPL 2.1, please see LICENSE for details
       8             : //* https://www.gnu.org/licenses/lgpl-2.1.html
       9             : 
      10             : #include "GeochemistryTimeIndependentReactor.h"
      11             : 
      12             : registerMooseObject("GeochemistryApp", GeochemistryTimeIndependentReactor);
      13             : 
      14             : InputParameters
      15         695 : GeochemistryTimeIndependentReactor::validParams()
      16             : {
      17         695 :   InputParameters params = GeochemistryReactorBase::validParams();
      18        1390 :   params.addParam<Real>("temperature", 25.0, "The temperature (degC) of the aqueous solution");
      19         695 :   params.addClassDescription("UserObject that controls the time-independent geochemistry reaction "
      20             :                              "processes.  Spatial dependence is not possible using this class");
      21        2085 :   params.set<ExecFlagEnum>("execute_on") = {EXEC_FINAL};
      22         695 :   return params;
      23         695 : }
      24             : 
      25         402 : GeochemistryTimeIndependentReactor::GeochemistryTimeIndependentReactor(
      26         402 :     const InputParameters & parameters)
      27             :   : GeochemistryReactorBase(parameters),
      28         402 :     _temperature(getParam<Real>("temperature")),
      29        3216 :     _egs(_mgd,
      30             :          _gac,
      31         402 :          _is,
      32         402 :          _swapper,
      33             :          getParam<std::vector<std::string>>("swap_out_of_basis"),
      34             :          getParam<std::vector<std::string>>("swap_into_basis"),
      35         804 :          getParam<std::string>("charge_balance_species"),
      36             :          getParam<std::vector<std::string>>("constraint_species"),
      37             :          getParam<std::vector<Real>>("constraint_value"),
      38             :          getParam<MultiMooseEnum>("constraint_unit"),
      39             :          getParam<MultiMooseEnum>("constraint_meaning"),
      40         402 :          _temperature,
      41         804 :          getParam<unsigned>("extra_iterations_to_make_consistent"),
      42         804 :          getParam<Real>("min_initial_molality"),
      43             :          {},
      44             :          {},
      45         804 :          MultiMooseEnum("")),
      46        1206 :     _solver(_mgd.basis_species_name.size(),
      47             :             _mgd.kin_species_name.size(),
      48             :             _is,
      49         804 :             getParam<Real>("abs_tol"),
      50         804 :             getParam<Real>("rel_tol"),
      51         804 :             getParam<unsigned>("max_iter"),
      52         402 :             getParam<Real>("max_initial_residual"),
      53         402 :             _small_molality,
      54         402 :             _max_swaps_allowed,
      55             :             getParam<std::vector<std::string>>("prevent_precipitation"),
      56         804 :             getParam<Real>("max_ionic_strength"),
      57         402 :             getParam<unsigned>("ramp_max_ionic_strength_initial"),
      58             :             false),
      59         804 :     _mole_additions(DenseVector<Real>(_num_basis, 0.0))
      60             : {
      61         402 : }
      62             : 
      63             : void
      64         345 : GeochemistryTimeIndependentReactor::initialize()
      65             : {
      66             :   GeochemistryReactorBase::initialize();
      67         345 : }
      68             : void
      69         255 : GeochemistryTimeIndependentReactor::finalize()
      70             : {
      71             :   GeochemistryReactorBase::finalize();
      72         255 : }
      73             : 
      74             : void
      75         330 : GeochemistryTimeIndependentReactor::execute()
      76             : {
      77             :   GeochemistryReactorBase::execute();
      78         330 : }
      79             : 
      80             : void
      81         345 : GeochemistryTimeIndependentReactor::initialSetup()
      82             : {
      83         345 :   if (_num_my_nodes == 0)
      84         120 :     return; // rather peculiar case where user has used many processors
      85         225 :   DenseMatrix<Real> dmole_additions(_num_basis, _num_basis);
      86         225 :   _solver.solveSystem(_egs,
      87             :                       _solver_output[0],
      88             :                       _tot_iter[0],
      89             :                       _abs_residual[0],
      90             :                       0.0,
      91         225 :                       _mole_additions,
      92             :                       dmole_additions);
      93         225 : }
      94             : 
      95             : const GeochemicalSystem &
      96       66165 :     GeochemistryTimeIndependentReactor::getGeochemicalSystem(dof_id_type /*node_id*/) const
      97             : {
      98       66165 :   return _egs;
      99             : }
     100             : 
     101             : const std::stringstream &
     102         147 :     GeochemistryTimeIndependentReactor::getSolverOutput(dof_id_type /*node_id*/) const
     103             : {
     104         147 :   return _solver_output[0];
     105             : }
     106             : 
     107         147 : unsigned GeochemistryTimeIndependentReactor::getSolverIterations(dof_id_type /*node_id*/) const
     108             : {
     109         147 :   return _tot_iter[0];
     110             : }
     111             : 
     112         147 : Real GeochemistryTimeIndependentReactor::getSolverResidual(dof_id_type /*node_id*/) const
     113             : {
     114         147 :   return _abs_residual[0];
     115             : }
     116             : 
     117             : const DenseVector<Real> &
     118           0 :     GeochemistryTimeIndependentReactor::getMoleAdditions(dof_id_type /*node_id*/) const
     119             : {
     120           0 :   return _mole_additions;
     121             : }
     122             : 
     123             : Real
     124           0 : GeochemistryTimeIndependentReactor::getMolesDumped(dof_id_type /*node_id*/,
     125             :                                                    const std::string & /*species*/) const
     126             : {
     127           0 :   return 0.0;
     128             : }