test_models.c

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/* src/test_models.c
 *
 * Copyright (C) 2011-2018 Dongdong Li
 *
 * This program is free software; you can redistribute it and/or modify
 * it under the terms of the GNU General Public License as published by
 * the Free Software Foundataion; either version 3 of the License, or (at
 * your option) any later version.
 *
 * This program is distributed in the hope that it will be useful, but
 * WITHOUT ANY WARRANTY; without even the implied warranty of
 * MERCHANTABLITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
 * General Public License for more details.
 *
 * You should have received a copy of the GNU General Public License
 * along with this program; if not, write to the Free Software
 * Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA.
 */

extern bool test_models ()
{
  if (phases.aqueous == NULL || phases.solidsolution == NULL)
    {
      printf ("There is no PHASES defined\n");
      return false;
    }
  else
    {
      double naq[6] = {55.51, 5.0, 1.0, 1.0, 1.0, 1.0};
      printf ("aw(aq) = %lf\n", psc_a (phases.aqueous[0], 0, naq, 298.15, 1.0));
      printf ("aH+(aq) = %lf\n", psc_a (phases.aqueous[0], 1, naq, 298.15, 1.0));
      printf ("aH2PO4(aq) = %lf\n", psc_a (phases.aqueous[0], 2, naq, 298.15, 1.0));
      printf ("aH3PO4(aq) = %lf\n", psc_a (phases.aqueous[0], 3, naq, 298.15, 1.0));
      printf ("aHSO4(aq) = %lf\n", psc_a (phases.aqueous[0], 4, naq, 298.15, 1.0));
      printf ("aSO4(aq) = %lf\n", psc_a (phases.aqueous[0], 5, naq, 298.15, 1.0));

      double nss[2] = {0.5, 0.5};
      printf ("aKCl(ss) = %lf\n", rkg_a (phases.solidsolution[0], 0, nss, 298.15, 1.0));
    }

  return true;
}