max/iphreeqc
1
0
Fork 0
mirror of https://git.gfz-potsdam.de/naaice/iphreeqc.git synced 2025-12-16 16:44:49 +01:00
Code Issues Packages Projects Releases Wiki Activity

worked on pressure dependence in lk_phase

Browse Source 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9434 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst 2015-03-30 16:32:34 +00:00
parent ab440058fb
commit 9ca2302555
1 changed files with 49 additions and 7 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

56
basicsubs.cpp
View File

@ -408,25 +408,38 @@ calc_logk_p(const char *name)
int i, j;
char token[MAX_LENGTH];
struct phase *phase_ptr;
LDBLE lk;
LDBLE lk=-999.9;
LDBLE l_logk[MAX_LOG_K_INDICES];
strcpy(token, name);
phase_ptr = phase_bsearch(token, &j, FALSE);
if (phase_ptr != NULL)
{
{
struct reaction *reaction_ptr;
if (phase_ptr->replaced)
reaction_ptr = phase_ptr->rxn_s;
else
reaction_ptr = phase_ptr->rxn;
/*
* Print saturation index
*/
reaction_ptr->logk[delta_v] = calc_delta_v(reaction_ptr, true) -
phase_ptr->logk[vm0];
if (reaction_ptr->logk[delta_v])
mu_terms_in_logk = true;
for (i = 0; i < MAX_LOG_K_INDICES; i++)
{
l_logk[i] = 0.0;
}
select_log_k_expression(phase_ptr->logk, l_logk);
add_other_logk(l_logk, phase_ptr->count_add_logk, phase_ptr->add_logk);
//lk = k_calc(reaction_ptr->logk, tk_x, patm_x * PASCAL_PER_ATM);
select_log_k_expression(reaction_ptr->logk, l_logk);
add_other_logk(l_logk, phase_ptr->count_add_logk, phase_ptr->add_logk);
lk = k_calc(l_logk, tk_x, patm_x * PASCAL_PER_ATM);
return (lk);
}
return (-999.99);
return (lk);
}
#ifdef SKIP
/* ---------------------------------------------------------------------- */
LDBLE Phreeqc::
calc_logk_s(const char *name)
@ -458,7 +471,36 @@ calc_logk_s(const char *name)
}
return (-999.99);
}
#endif
/* ---------------------------------------------------------------------- */
LDBLE Phreeqc::
calc_logk_s(const char *name)
/* ---------------------------------------------------------------------- */
{
int i;
char token[MAX_LENGTH];
struct species *s_ptr;
LDBLE lk, l_logk[MAX_LOG_K_INDICES];
strcpy(token, name);
s_ptr = s_search(token);
if (s_ptr != NULL)
{
if (s_ptr->logk[vm_tc])
/* calculate delta_v for the reaction... */
s_ptr->logk[delta_v] = calc_delta_v(s_ptr->rxn, false);
for (i = 0; i < MAX_LOG_K_INDICES; i++)
{
l_logk[i] = 0.0;
}
select_log_k_expression(s_ptr->logk, l_logk);
mu_terms_in_logk = true;
add_other_logk(l_logk, s_ptr->count_add_logk, s_ptr->add_logk);
lk = k_calc(l_logk, tk_x, patm_x * PASCAL_PER_ATM);
return (lk);
}
return (-999.99);
}
/* ---------------------------------------------------------------------- */
LDBLE Phreeqc::
calc_surface_charge(const char *surface_name)