Made GAS_BINARY_PARAMETERS backward compatible

usgs-coupled · Nov 11, 2024 · d4f901e · d4f901e
1 parent 14b0fe8
commit d4f901e
Show file tree

Hide file tree

Showing 8 changed files with 124 additions and 662 deletions.
diff --git a/database/Amm.dat b/database/Amm.dat
@@ -1323,7 +1323,17 @@ Pb(OH)2 389
 	Pb(OH)2 + 2 H+ = Pb+2 + 2 H2O
 	-log_k 8.15
 	-delta_h -13.99 kcal
-
+GAS_BINARY_PARAMETERS
+H2O(g)  CO2(g)           0.19
+H2O(g)  H2S(g)           0.19
+H2O(g)  H2Sg(g)          0.19
+H2O(g)  CH4(g)           0.49
+H2O(g)  Mtg(g)           0.49
+H2O(g)  Methane(g)       0.49
+H2O(g)  N2(g)            0.49
+H2O(g)  Ntg(g)           0.49
+H2O(g)  Ethane(g)        0.49
+H2O(g)  Propane(g)       0.55
 EXCHANGE_MASTER_SPECIES
 	X X-
 EXCHANGE_SPECIES

diff --git a/database/phreeqc_rates.dat b/database/phreeqc_rates.dat
@@ -1323,7 +1323,17 @@ Pb(OH)2 389
 	Pb(OH)2 + 2 H+ = Pb+2 + 2 H2O
 	-log_k 8.15
 	-delta_h -13.99 kcal
-
+GAS_BINARY_PARAMETERS
+H2O(g)  CO2(g)           0.19
+H2O(g)  H2S(g)           0.19
+H2O(g)  H2Sg(g)          0.19
+H2O(g)  CH4(g)           0.49
+H2O(g)  Mtg(g)           0.49
+H2O(g)  Methane(g)       0.49
+H2O(g)  N2(g)            0.49
+H2O(g)  Ntg(g)           0.49
+H2O(g)  Ethane(g)        0.49
+H2O(g)  Propane(g)       0.55
 EXCHANGE_MASTER_SPECIES
 	X X-
 EXCHANGE_SPECIES

diff --git a/database/pitzer.dat b/database/pitzer.dat
@@ -783,6 +783,17 @@ PITZER
   K+        OH-       SO4-2     -0.05
   Mg+2      Na+       SO4-2     -0.015
   Na+       OH-       SO4-2     -0.009
+GAS_BINARY_PARAMETERS
+H2O(g)  CO2(g)           0.19
+H2O(g)  H2S(g)           0.19
+H2O(g)  H2Sg(g)          0.19
+H2O(g)  CH4(g)           0.49
+H2O(g)  Mtg(g)           0.49
+H2O(g)  Methane(g)       0.49
+H2O(g)  N2(g)            0.49
+H2O(g)  Ntg(g)           0.49
+H2O(g)  Ethane(g)        0.49
+H2O(g)  Propane(g)       0.55
 EXCHANGE_MASTER_SPECIES
 	X X-
 EXCHANGE_SPECIES

diff --git a/mytest/gas_binary_parameters b/mytest/gas_binary_parameters
@@ -7,6 +7,17 @@ USER_PUNCH 101
 10 PUNCH STR_F$(MU, 20, 12)
 20 PUNCH STR_F$(SC, 20, 10)
     -end
+GAS_BINARY_PARAMETERS
+H2O(g)  CO2(g)           0.19
+H2O(g)  H2S(g)           0.19
+H2O(g)  H2Sg(g)          0.19
+H2O(g)  CH4(g)           0.49
+H2O(g)  Mtg(g)           0.49
+H2O(g)  Methane(g)       0.49
+H2O(g)  N2(g)            0.49
+H2O(g)  Ntg(g)           0.49
+H2O(g)  Ethane(g)        0.49
+H2O(g)  Propane(g)       0.55
 SOLUTION
 GAS_PHASE
 H2O(g)  0

diff --git a/src/Phreeqc.h b/src/Phreeqc.h
@@ -473,6 +473,7 @@ class Phreeqc
 #endif
 	int calc_gas_pressures(void);
 	int calc_fixed_volume_gas_pressures(void);
+	double calc_gas_binary_parameter(std::string name1, std::string name2) const;
 	int calc_ss_fractions(void);
 	int gammas(LDBLE mu);
 	int gammas_a_f(int i);