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https://git.gfz-potsdam.de/naaice/iphreeqc.git
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142 lines
3.3 KiB
C++
142 lines
3.3 KiB
C++
#include "Utils.h"
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#include "Phreeqc.h"
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#include "phqalloc.h"
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#include "cxxKinetics.h"
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#include "Solution.h"
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#if defined(PHREEQCI_GUI)
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#ifdef _DEBUG
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#define new DEBUG_NEW
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#undef THIS_FILE
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static char THIS_FILE[] = __FILE__;
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#endif
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#endif
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/* ---------------------------------------------------------------------- */
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int Phreeqc::
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advection(void)
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/* ---------------------------------------------------------------------- */
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{
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int i;
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LDBLE kin_time;
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/*
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* Calculate advection
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*/
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state = ADVECTION;
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/* mass_water_switch = TRUE; */
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/*
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* Check existence of all solutions
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*/
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for (i = 0; i <= count_ad_cells; i++)
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{
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if (Utilities::Rxn_find(Rxn_solution_map, i) == NULL)
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//if (solution_bsearch(i, &n, TRUE) == NULL)
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{
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input_error++;
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error_string = sformatf(
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"Solution %d is needed for advection, but is not defined.",
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i);
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error_msg(error_string, CONTINUE);
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}
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}
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/*
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* Check kinetics logic
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*/
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kin_time = advection_kin_time;
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if (kin_time <= 0.0)
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{
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for (i = 1; i <= count_ad_cells; i++)
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{
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if (Utilities::Rxn_find(Rxn_kinetics_map, i) != NULL)
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{
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input_error++;
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error_string = sformatf(
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"KINETIC reaction(s) defined, but time_step is not defined in ADVECTION keyword.");
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error_msg(error_string, CONTINUE);
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break;
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}
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}
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}
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/*
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* Quit on error
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*/
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if (get_input_errors() > 0)
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{
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error_msg("Program terminating due to input errors.", STOP);
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}
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/*
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* Equilibrate solutions with phases, exchangers, surfaces
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*/
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last_model.force_prep = true;
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rate_sim_time_start = 0;
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for (advection_step = 1; advection_step <= count_ad_shifts;
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advection_step++)
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{
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log_msg(sformatf(
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"\nBeginning of advection time step %d, cumulative pore volumes %f.\n",
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advection_step,
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(double) (((LDBLE) advection_step) /
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((LDBLE) count_ad_cells))));
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if (pr.use == TRUE && pr.all == TRUE)
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{
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output_msg(sformatf(
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"Beginning of advection time step %d, cumulative pore volumes %f.\n",
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advection_step,
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(double) (((LDBLE) advection_step) /
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((LDBLE) count_ad_cells))));
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}
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/*
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* Advect
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*/
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for (i = count_ad_cells; i > 0; i--)
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{
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//solution_duplicate(i - 1, i);
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Utilities::Rxn_copy(Rxn_solution_map, i -1, i);
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}
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/*
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* Equilibrate and (or) mix
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*/
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for (int i = 1; i <= count_ad_cells; i++)
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{
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set_initial_moles(i);
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cell_no = i;
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set_advection(i, TRUE, TRUE, i);
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run_reactions(i, kin_time, TRUE, 1.0);
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if (advection_kin_time_defined == TRUE)
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{
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rate_sim_time = rate_sim_time_start + kin_time;
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}
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log_msg(sformatf( "\nCell %d.\n\n", i));
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if (pr.use == TRUE && pr.all == TRUE &&
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advection_step % print_ad_modulus == 0 &&
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advection_print[(size_t)i - 1] == TRUE)
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{
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output_msg(sformatf( "\nCell %d.\n\n", i));
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}
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if (advection_step % punch_ad_modulus == 0 &&
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advection_punch[(size_t)i - 1] == TRUE)
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{
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punch_all();
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}
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if (advection_step % print_ad_modulus == 0 &&
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advection_print[(size_t)i - 1] == TRUE)
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{
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print_all();
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}
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if (i > 1)
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Utilities::Rxn_copy(Rxn_solution_map, -2, i - 1);
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//solution_duplicate(-2, i - 1);
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saver();
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}
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Utilities::Rxn_copy(Rxn_solution_map, -2, count_ad_cells);
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//solution_duplicate(-2, count_ad_cells);
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rate_sim_time_start += kin_time;
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}
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initial_total_time += rate_sim_time_start;
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/* free_model_allocs(); */
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mass_water_switch = FALSE;
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return (OK);
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}
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