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Gas dimers should have element atomic wt to convert to moles of element.

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git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8199 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst 2013-11-18 17:56:24 +00:00
parent 0aa9f68d2a
commit d0f46aac0a
3 changed files with 16 additions and 16 deletions
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12
Amm.dat
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@ -8,11 +8,11 @@ SOLUTION_MASTER_SPECIES
#element species alk gfw_formula element_gfw
#
H H+ -1.0 H 1.008
H(0) H2 0 H2
H(0) H2 0 H
H(1) H+ -1.0 0
E e- 0 0.0 0
O H2O 0 O 16.0
O(0) O2 0 O2
O(0) O2 0 O
O(-2) H2O 0 0
Ca Ca+2 0 Ca 40.08
Mg Mg+2 0 Mg 24.312
@ -39,7 +39,7 @@ S(-2) HS- 1.0 S
N NO3- 0 N 14.0067
N(+5) NO3- 0 NO3
N(+3) NO2- 0 NO2
N(0) N2 0 N2
N(0) N2 0 N
# N(-3) NH4+ NH4 14.0067
Amm AmmH+ 0 AmmH 17.0
B H3BO3 0 B 10.81
@ -54,11 +54,11 @@ Cu Cu+2 0 Cu 63.546
Cu(+2) Cu+2 0 Cu
Cu(+1) Cu+1 0 Cu
# redox-uncoupled gases
Hdg Hdg 0 Hdg 2.016 # H2 gas
Oxg Oxg 0 Oxg 32 # O2 gas
Hdg Hdg 0 Hdg 1.008 # H2 gas
Oxg Oxg 0 Oxg 16.0 # O2 gas
Mtg Mtg 0 Mtg 16.032 # CH4 gas
Sg H2Sg 1.0 H2Sg 34.08
Ntg Ntg 0 Ntg 28.0134 # N2 gas
Ntg Ntg 0 Ntg 14.0067 # N2 gas
SOLUTION_SPECIES
H+ = H+

14
phreeqc.dat
View File

@ -8,11 +8,11 @@ SOLUTION_MASTER_SPECIES
#element species alk gfw_formula element_gfw
#
H H+ -1.0 H 1.008
H(0) H2 0 H2
H(0) H2 0 H
H(1) H+ -1.0 0
E e- 0 0.0 0
O H2O 0 O 16.0
O(0) O2 0 O2
O(0) O2 0 O
O(-2) H2O 0 0
Ca Ca+2 0 Ca 40.08
Mg Mg+2 0 Mg 24.312
@ -39,8 +39,8 @@ S(-2) HS- 1.0 S
N NO3- 0 N 14.0067
N(+5) NO3- 0 NO3
N(+3) NO2- 0 NO2
N(0) N2 0 N2
N(-3) NH4+ 0 NH4 14.0067
N(0) N2 0 N
N(-3) NH4+ 0 NH4 14.0067
#Amm AmmH+ 0 AmmH 17.0
B H3BO3 0 B 10.81
P PO4-3 2.0 P 30.9738
@ -54,11 +54,11 @@ Cu Cu+2 0 Cu 63.546
Cu(+2) Cu+2 0 Cu
Cu(+1) Cu+1 0 Cu
# redox-uncoupled gases
Hdg Hdg 0 Hdg 2.016 # H2 gas
Oxg Oxg 0 Oxg 32 # O2 gas
Hdg Hdg 0 Hdg 1.008 # H2 gas
Oxg Oxg 0 Oxg 16.0 # O2 gas
Mtg Mtg 0 Mtg 16.032 # CH4 gas
Sg H2Sg 1.0 H2Sg 34.08
Ntg Ntg 0 Ntg 28.0134 # N2 gas
Ntg Ntg 0 Ntg 14.0067 # N2 gas
SOLUTION_SPECIES
H+ = H+

6
pitzer.dat
View File

@ -26,11 +26,11 @@ B B(OH)3 0 B 10.81
Li Li+ 0 Li 6.941
Br Br- 0 Br 79.904
# redox-uncoupled gases
Hdg Hdg 0 Hdg 2.016 # H2 gas
Oxg Oxg 0 Oxg 32 # Oxygen gas
Hdg Hdg 0 Hdg 1.008 # H2 gas
Oxg Oxg 0 Oxg 16.0 # Oxygen gas
Mtg Mtg 0.0 Mtg 16.032 # CH4 gas
Sg H2Sg 1.0 H2Sg 34.08
Ntg Ntg 0 Ntg 28.0134 # N2 gas
Ntg Ntg 0 Ntg 14.0067 # N2 gas
SOLUTION_SPECIES
H+ = H+