APPENDIX B: DATA FILES FOR PROGRAM FREZCHEM2
File DATABASE
9 - number of independent components
0 30 - the name of the independent component, its charge and its
H2O
code ( the codes in this model are the same as
Na+
1 1
in the FREZCHEM model )
K+
1 2
Ca2+
2 3
Mg2+
2 4
Cl-
-1 11
SO4-2
-2 12
CO3-2
-2 15
H+
1 6
5 -number of cations
H2O
Na+
K+
Ca2+
Mg2+ Cl- SO4-2 CO3-2 H+
Na+(aq)
1 1
.00 1.00
.00
.00
.00
.00
.00
.00
.00
K+(aq)
2 1
.00
.00 1.00
.00
.00
.00
.00
.00
.00
Ca2+(aq)
3 2
.00
.00
.00 1.00
.00
.00
.00
.00
.00
Mg2+(aq)
4 2
.00
.00
.00
.00 1.00
.00
.00
.00
.00
H+(aq)
5 1
.00
.00
.00
.00
.00
.00
.00
.00 1.00
5 -number of anions
Cl- (aq)
11 -1
.00
.00
.00
.00
.00 1.00
.00
.00
.00
SO4-2(aq)
12 -2
.00
.00
.00
.00
.00
.00 1.00
.00
.00
OH-(aq)
13 -1
1.00
.00
.00
.00
.00
.00
.00
.00 -1.00
HCO3-(aq)
14 -1
.00
.00
.00
.00
.00
.00
.00 1.00 1.00
CO3-2(aq)
15 -2
.00
.00
.00
.00
.00
.00
.00 1.00
.00
4 -number of neutral species
CO2(aq)
21 0 -1.00
.00
.00
.00
.00
.00
.00 1.00 2.00
CaSO4(aq)
22 0
.00
.00
.00 1.00
.00
.00 1.00
.00
.00
MgSO4(aq)
23 0
.00
.00
.00
.00 1.00
.00 1.00
.00
.00
H2O(l)
30 0
1.00
.00
.00
.00
.00
.00
.00
.00
.00
16 - number of solid phases
H2O
Na+
K+
Ca2+
Mg2+ Cl- SO4-2 CO3-2 H+
H2O(cr,I)
31 0
1.00
.00
.00
.00
.00
.00
.00
.00 0.00
NaCl*2H2O(cr)
32 0
2.00 1.00
.00
.00
.00 1.00
.00
.00 0.00
NaCl(cr)
33 0
.00 1.00
.00
.00
.00 1.00
.00
.00
.00
KCl(cr)
34 0
.00
.00 1.00
.00
.00 1.00
.00
.00
.00
CaCl2*6H2O(cr)
35 0
6.00
.00
.00 1.00
.00 2.00
.00
.00
.00
MgCl2*6H2O(cr)
36 0
6.00
.00
.00
.00 1.00 2.00
.00
.00
.00
MgCl2*8H2O(cr)
37 0
8.00
.00
.00
.00 1.00 2.00
.00
.00
.00
MgCl2*12H2O(cr)
38 0 12.00
.00
.00
.00 1.00 2.00
.00
.00
.00
KMgCl3*6H2O(cr)
39 0
6.00
.00 1.00
.00 1.00 3.00
.00
.00
.00
CaCl2*2MgCl2*12H2O(cr) 40 0 12.00
.00
.00 1.00 2.00 6.00
.00
.00
.00
Na2SO4*10H2O(cr)
41 0 10.00 2.00
.00
.00
.00
.00 1.00
.00
.00
Na2SO4(cr)
42 0
.00 2.00
.00
.00
.00
.00 1.00
.00
.00
MgSO4*6H2O(cr)
43 0
6.00
.00
.00
.00 1.00
.00 1.00
.00
.00
MgSO4*7H2O(cr)
44 0
7.00
.00
.00
.00 1.00
.00 1.00
.00
.00
K2SO4(cr)
45 0
.00
.00 2.00
.00
.00
.00 1.00
.00
.00
MgSO4*K2SO4*6H2O(cr)
46 0
6.00
.00 2.00
.00 1.00
.00 2.00
.00
.00
37
Previous Page
