Research Article
SALMO and S3M: A Saliva Model and a Single Saliva Salt Model for Equilibrium Studies
Table 4
Stability constants of SALMO species at
= 25, 30, 37, and 40°C and
ionic strength (by (
11)).
| ID | Species(a) | | = 25°C | = 30°C | = 37°C | = 40°C |
| 1 | (OH) | −13.82 | −13.66 | −13.45 | −13.36 | 2 | (Na)(OH) | −13.59 | −13.45 | −13.25 | −13.17 | 3 | (K)(OH) | −13.65 | −13.53 | −13.35 | −13.28 | 4 | (Ca)(OH) | −12.87 | −12.74 | −12.56 | −12.49 | 5 | (Mg)(OH) | −11.73 | −11.61 | −11.45 | −11.38 | 6 | (NH4)(OH) | −9.26 | −9.10 | −8.90 | −8.82 | 7 | (SCN)(H) | −1.66 | −1.51 | −1.29 | −1.20 | 8 | (Na)(SCN) | −0.52 | −0.52 | −0.51 | −0.51 | 9 | (K)(SCN) | −0.50 | −0.50 | −0.49 | −0.49 | 10 | (Mg)(SCN) | −1.20 | −1.19 | −1.19 | −1.19 | 11 | (Ca)(SCN) | −1.20 | −1.19 | −1.19 | −1.19 | 12 | (NH4)(SCN) | −0.52 | −0.52 | −0.51 | −0.51 | 13 | (F)(H) | 2.96 | 2.99 | 3.05 | 3.07 | 14 | (F)2(H) | 3.52 | 3.53 | 3.55 | 3.56 | 15 | (Na)(F) | −0.60 | −0.56 | −0.51 | −0.49 | 16 | (K)(F) | −0.58 | −0.54 | −0.49 | −0.47 | 17 | (Mg)(F) | 1.28 | 1.31 | 1.36 | 1.39 | 18 | (Ca)(F) | 0.67 | 0.71 | 0.76 | 0.79 | 19 | (NH4)(F) | −0.60 | −0.56 | −0.51 | −0.49 | 20 | (Na)(Cl) | −0.46 | −0.48 | −0.51 | −0.53 | 21 | (K)(Cl) | −0.46 | −0.48 | −0.49 | −0.50 | 22 | (Mg)(Cl) | 0.12 | 0.14 | 0.15 | 0.16 | 23 | (Ca)(Cl) | −0.03 | −0.02 | 0.00 | 0.01 | 24 | (NH4)(Cl) | −0.48 | −0.50 | −0.51 | −0.52 | 25 | (SO4)(H) | 1.64 | 1.71 | 1.79 | 1.83 | 26 | (Na)(SO4) | 0.38 | 0.38 | 0.39 | 0.39 | 27 | (K)(SO4) | 0.50 | 0.51 | 0.52 | 0.53 | 28 | (Mg)(SO4) | 1.61 | 1.63 | 1.65 | 1.66 | 29 | (Ca)(SO4) | 1.55 | 1.57 | 1.60 | 1.61 | 30 | (NH4)(SO4) | 0.91 | 0.92 | 0.92 | 0.92 | 31 | (PO4)(H) | 11.84 | 11.76 | 11.65 | 11.60 | 32 | (PO4)(H)2 | 18.70 | 18.60 | 18.48 | 18.43 | 33 | (PO4)(H)3 | 20.23 | 20.16 | 20.06 | 20.02 | 34 | (Na)(PO4) | 0.91 | 0.93 | 0.96 | 0.97 | 35 | (Na)(PO4)(H) | 12.54 | 12.49 | 12.42 | 12.39 | 36 | (Na)(PO4)(H)2 | 18.80 | 18.76 | 18.70 | 18.68 | 37 | (Na)2(PO4) | 1.70 | 1.73 | 1.76 | 1.77 | 38 | (Na)2(PO4)(H) | 12.25 | 12.20 | 12.14 | 12.11 | 39 | (K)(PO4) | 0.81 | 0.83 | 0.86 | 0.87 | 40 | (K)(PO4)(H) | 12.33 | 12.28 | 12.23 | 12.21 | 41 | (K)(PO4)(H)2 | 18.68 | 18.60 | 18.50 | 18.46 | 42 | (K)2(PO4) | 1.35 | 1.37 | 1.40 | 1.41 | 43 | (K)2(PO4)(H) | 12.26 | 12.22 | 12.17 | 12.15 | 44 | (Ca)(PO4)(H) | 13.70 | 13.66 | 13.59 | 13.57 | 45 | (Ca)(PO4)(H)2 | 19.69 | 19.63 | 19.55 | 19.52 | 46 | (Mg)(PO4)(H) | 13.84 | 13.80 | 13.73 | 13.71 | 47 | (Mg)(PO4)(H)2 | 19.82 | 19.76 | 19.68 | 19.65 | 48 | (NH4)(PO4) | 0.91 | 0.93 | 0.96 | 0.97 | 49 | (NH4)(PO4)(H) | 12.60 | 12.55 | 12.48 | 12.45 | 50 | (NH4)(PO4)(H)2 | 18.80 | 18.76 | 18.70 | 18.68 | 51 | (NH4)2(PO4) | 1.71 | 1.73 | 1.76 | 1.77 | 52 | (NH4)2(PO4)(H) | 12.23 | 12.19 | 12.14 | 12.12 | 53 | (Na)(K)(PO4) | 1.89 | 1.91 | 1.94 | 1.95 | 54 | (Na)(NH4)(PO4) | 2.06 | 2.08 | 2.11 | 2.12 | 55 | (K)(NH4)(PO4) | 1.89 | 1.91 | 1.94 | 1.95 | 56 | (Na)(K)(PO4)(H) | 12.37 | 12.41 | 12.46 | 12.48 | 57 | (Na)(NH4)(PO4)(H) | 12.35 | 12.39 | 12.44 | 12.46 | 58 | (K)(NH4)(PO4)(H) | 12.37 | 12.41 | 12.46 | 12.48 | 59 | (AA)(H) | 9.58 | 9.45 | 9.28 | 9.21 | 60 | (AA)(H)2 | 11.64 | 11.63 | 11.62 | 11.61 | 61 | (Na)(AA) | −0.68 | −0.68 | −0.68 | −0.68 | 62 | (Na)(AA)(H) | 9.04 | 8.91 | 8.74 | 8.67 | 63 | (K)(AA) | −0.68 | −0.68 | −0.68 | −0.67 | 64 | (K)(AA)(H) | 9.04 | 8.91 | 8.74 | 8.67 | 65 | (NH4)(AA) | −0.68 | −0.68 | −0.68 | −0.67 | 66 | (NH4)(AA)(H) | 9.04 | 8.91 | 8.74 | 8.67 | 67 | (Mg)(AA) | 1.49 | 1.57 | 1.67 | 1.71 | 68 | (Mg)(AA)(H) | 9.61 | 9.66 | 9.74 | 9.77 | 69 | (Ca)(AA) | 1.00 | 0.99 | 0.97 | 0.97 | 70 | (Ca)(AA)(H) | 9.70 | 9.72 | 9.75 | 9.76 | 71 | (SO4)(AA)(H) | 10.56 | 10.44 | 10.28 | 10.21 | 72 | (Cl)(AA)(H) | 11.27 | 11.15 | 10.98 | 10.91 | 73 | (F)(AA)(H) | 11.47 | 11.34 | 11.18 | 11.11 | 74 | (SCN)(AA)(H) | 11.27 | 11.15 | 10.98 | 10.91 | 75 | (CO3)(H) | 9.95 | 9.91 | 9.85 | 9.83 | 76 | (CO3)(H)2 | 16.13 | 16.06 | 15.97 | 15.93 | 77 | (Na)(CO3) | 0.79 | 0.80 | 0.80 | 0.80 | 78 | (Na)(CO3)(H) | 9.96 | 9.92 | 9.87 | 9.85 | 79 | (K)(CO3) | 0.58 | 0.59 | 0.61 | 0.62 | 80 | (K)(CO3)(H) | 9.86 | 9.83 | 9.79 | 9.77 | 81 | (Ca)(CO3) | 2.46 | 2.50 | 2.56 | 2.58 | 82 | (Ca)(CO3)(H) | 10.83 | 10.84 | 10.86 | 10.87 | 83 | (Mg)(CO3) | 2.15 | 2.18 | 2.22 | 2.24 | 84 | (Mg)(CO3)(H) | 10.63 | 10.60 | 10.56 | 10.54 | 85 | (NH4)(CO3) | 0.79 | 0.80 | 0.80 | 0.80 | 86 | (NH4)(CO3)(H) | 9.96 | 9.92 | 9.87 | 9.85 | 87 | (Urea)(H) | 0.17 | 0.16 | 0.14 | 0.13 | 88 | (Urea)2(H) | −0.55 | −0.56 | −0.57 | −0.57 | 89 | (Ca)(Urea) | −0.81 | −0.80 | −0.80 | −0.80 | 90 | (Mg)(Urea) | −0.31 | −0.30 | −0.30 | −0.30 | 91 | (SO4)(Urea)(H) | 0.96 | 1.02 | 1.11 | 1.15 | 92 | (PO4)(Urea)(H)2 | 17.69 | 17.60 | 17.48 | 17.43 | 93 | (PO4)(Urea)(H)3 | 20.35 | 20.28 | 20.18 | 20.14 |
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Charges omitted for simplicity; (b)±0.01 − 0.1 standard deviation.
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