SALMO and S3M: A Saliva Model and a Single Saliva Salt Model for Equilibrium Studies
Table 3
Stability constants of SALMO species at °C and mol L−1 ionic strength and corresponding parameters for their dependence on ionic strength and temperature (by (8)–(11)).
ID
Species(a)
1
(OH)
−13.45
−0.41
−2
2814
2
(Na)(OH)
−13.25
−0.06
0
2602
3
(K)(OH)
−13.35
−0.06
0
2337
4
(Ca)(OH)
−12.56
0.25
2
2374
5
(Mg)(OH)
−11.45
0.25
2
2178
6
(NH4)(OH)
−8.90
−0.06
0
2745
7
(SCN)(H)
−1.29
0.36
2
2862
8
(Na)(SCN)
−0.51
0.36
2
53
9
(K)(SCN)
−0.49
0.36
2
53
10
(Mg)(SCN)
−1.19
0.66
4
53
11
(Ca)(SCN)
−1.19
0.66
4
53
12
(NH4)(SCN)
−0.51
0.36
2
53
13
(F)(H)
3.05
0.36
2
705
14
(F)2(H)
3.55
0.41
2
217
15
(Na)(F)
−0.51
0.36
2
636
16
(K)(F)
−0.49
0.36
2
636
17
(Mg)(F)
1.37
0.66
4
689
18
(Ca)(F)
0.77
0.66
4
742
19
(NH4)(F)
−0.51
0.36
2
636
20
(Na)(Cl)
−0.51
0.36
2
−424
21
(K)(Cl)
−0.49
0.36
2
−212
22
(Mg)(Cl)
0.15
0.66
4
212
23
(Ca)(Cl)
0.00
0.66
4
212
24
(NH4)(Cl)
−0.51
0.36
2
−212
25
(SO4)(H)
1.79
0.89
4
1166
26
(Na)(SO4)
0.39
0.99
4
53
27
(K)(SO4)
0.52
0.89
4
217
28
(Mg)(SO4)
1.65
1.80
8
307
29
(Ca)(SO4)
1.60
1.76
8
376
30
(NH4)(SO4)
0.92
0.65
4
53
31
(PO4)(H)
11.65
0.96
6
−1484
32
(PO4)(H)2
18.48
1.61
10
−1675
33
(PO4)(H)3
20.06
1.97
12
−1299
34
(Na)(PO4)
0.96
0.96
6
371
35
(Na)(PO4)(H)
12.42
1.61
10
−901
36
(Na)(PO4)(H)2
18.70
1.97
12
−742
37
(Na)2(PO4)
1.76
1.61
10
424
38
(Na)2(PO4)(H)
12.14
1.97
12
−848
39
(K)(PO4)
0.86
0.96
6
318
40
(K)(PO4)(H)
12.23
1.61
10
−742
41
(K)(PO4)(H)2
18.50
1.97
12
−1378
42
(K)2(PO4)
1.40
1.61
10
371
43
(K)2(PO4)(H)
12.17
1.97
12
−689
44
(Ca)(PO4)(H)
13.59
2.21
14
−848
45
(Ca)(PO4)(H)2
19.55
2.27
14
−1039
46
(Mg)(PO4)(H)
13.73
2.21
14
−848
47
(Mg)(PO4)(H)2
19.68
2.27
14
−1039
48
(NH4)(PO4)
0.96
0.96
6
371
49
(NH4)(PO4)(H)
12.48
1.34
10
−901
50
(NH4)(PO4)(H)2
18.70
1.97
12
−742
51
(NH4)2(PO4)
1.76
1.61
10
371
52
(NH4)2(PO4)(H)
12.14
1.97
12
−689
53
(Na)(K)(PO4)
1.94
1.61
10
398
54
(Na)(NH4)(PO4)
2.11
1.61
10
398
55
(K)(NH4)(PO4)
1.94
1.61
10
398
56
(Na)(K)(PO4)(H)
12.46
1.97
12
716
57
(Na)(NH4)(PO4)(H)
12.44
1.97
12
716
58
(K)(NH4)(PO4)(H)
12.46
1.97
12
716
59
(AA)(H)
9.28
0.57
2
−2325
60
(AA)(H)2
11.62
0.65
2
−143
61
(Na)(AA)
−0.68
0.64
2
0
62
(Na)(AA)(H)
8.74
0.69
2
−2325
63
(K)(AA)
−0.68
0.64
2
53
64
(K)(AA)(H)
8.74
0.69
2
−2325
65
(NH4)(AA)
−0.68
0.64
2
53
66
(NH4)(AA)(H)
8.74
0.69
2
−2325
67
(Mg)(AA)
1.67
0.97
4
1325
68
(Mg)(AA)(H)
9.74
0.54
2
1000
69
(Ca)(AA)
0.97
0.92
4
−212
70
(Ca)(AA)(H)
9.75
0.79
2
424
71
(SO4)(AA)(H)
10.28
0.78
2
−2219
72
(Cl)(AA)(H)
10.98
1.20
2
−2272
73
(F)(AA)(H)
11.18
1.20
2
−2219
74
(SCN)(AA)(H)
10.98
1.20
2
−2272
75
(CO3)(H)
9.85
0.66
4
−774
76
(CO3)(H)2
15.97
1.01
6
−1261
77
(Na)(CO3)
0.80
0.66
4
53
78
(Na)(CO3)(H)
9.87
1.01
6
−721
79
(K)(CO3)
0.61
0.66
4
217
80
(K)(CO3)(H)
9.79
1.01
6
−557
81
(Ca)(CO3)
2.56
1.26
8
795
82
(Ca)(CO3)(H)
10.86
1.31
8
233
83
(Mg)(CO3)
2.22
1.26
8
530
84
(Mg)(CO3)(H)
10.56
1.31
8
−509
85
(NH4)(CO3)
0.80
0.66
4
53
86
(NH4)(CO3)(H)
9.87
1.01
6
−721
87
(Urea)(H)
0.14
0.06
0
−212
88
(Urea)2(H)
−0.57
0.11
0
−159
89
(Ca)(Urea)
−0.80
0.06
0
53
90
(Mg)(Urea)
−0.30
0.06
0
53
91
(SO4)(Urea)(H)
1.11
0.71
4
1166
92
(PO4)(Urea)(H)2
17.48
1.67
10
−1675
93
(PO4)(Urea)(H)3
20.18
2.02
12
−1299
Charges omitted for simplicity; (b)±0.01 − 0.1 standard deviation.
