Model III Data

Model III: Data for Aqueous NH₄⁺ - NO₃⁻ - Cl⁻

The System

The sources of data used to determine mixture parameters W, Q and U in the activity coefficient equations for this ternary (3 ion) system are listed in Table 11 of Clegg et al. (1998b). Fits of the model are described in section 3.13 of that paper. The following types of data were considered:

Saturation with respect to the solids NH4NO3(s) and NH4Cl(s) in the ternary solution.
Water activities from electrodynamic balance measurements (not fitted).

References: S. L. Clegg, P. Brimblecombe and A. S. Wexler (1998b) J. Phys. Chem. A 102, 2155-2171.

Weights

The values listed in the tables below are based upon those used in the fits of the model. However, they have been normalised for each type of measurement so that the maximum weight for a data point in each table is always unity. Points given zero weight are those which either appear to be in error, or are used for comparison only (and were not fitted). Points with a weight of "-" are outside the temperature or concentration limits of the current model, and have not been assessed for accuracy.

The Data

The experimental data used to fit the activity coefficient model are listed in the tables below. Notes at the end of each one define the tabulated quantities, and identify the sources of the measurements.

(1) Solubilities of Solid Phases

 mNH4Cl  mNH4NO3     t     solid     ref.   weight
 5.4571  21.7298   19.50    1      a(2144)    -        
 5.4571  21.7298   19.50    2      a(2144)    -        
18.1492 124.7834  100.00    2      a(2145)    -        
 5.4966   0.0000    0.00    1      a(2146)    -        
 5.6222   1.4071    0.00    1      a(2146)    -        
 5.3697   3.5841    0.00    1      a(2146)    -        
 4.9315   7.3939    0.00    1      a(2146)    -        
 3.9345  13.9616    0.00    1      a(2146)    -        
 3.9345  13.9616    0.00    2      a(2146)    -        
 3.7006  14.8023    0.00    2      a(2146)    -        
 0.0000  16.3193    0.00    2      a(2146)    -        
 6.9378   0.0000   20.00    1      a(2146)    -        
 9.4404  23.6098   20.00    1      a(2146)    -        
 6.6605   4.4359   20.00    1      a(2146)    -        
 6.3461   9.5298   20.00    1      a(2146)    -        
 6.3860  21.3642   20.00    1      a(2146)    -        
 6.3860  21.3642   20.00    2      a(2146)    -        
 5.8457  23.3658   20.00    2      a(2146)    -                                 
 0.0000  26.4350   20.00    2      a(2146)    -                                 
 8.5373   0.0000   40.00    1      a(2146)    -                                 
 8.3629   2.0298   40.00    1      a(2146)    -                                 
 8.1192   5.4128   40.00    1      a(2146)    -                                 
 7.9234  11.8850   40.00    1      a(2146)    -                                 
 3.9622  15.8564   40.00    1      a(2146)    -                                 
 7.5369  32.1176   40.00    1      a(2146)    -                                 
 7.5369  32.1176   40.00    2      a(2146)    -                                 
 0.0000  36.9288   40.00    2      a(2146)    -                                 
10.2755   0.0000   60.00    1      a(2146)    -                                 
10.5698   2.6459   60.00    1      a(2146)    -                                 
10.4024   6.9349   60.00    1      a(2146)    -                                 
10.0925  15.1387   60.00    1      a(2146)    -                                 
11.1017  44.4069   60.00    1      a(2146)    -                                 
10.4051  46.8171   60.00    1      a(2146)    -                                 
10.4051  46.8171   60.00    2      a(2146)    -                                 
 0.0000  52.8644   60.00    2      a(2146)    -                                 
12.3338   0.0000   80.00    1      a(2146)    -                                 
16.1746  76.3004   80.00    1      a(2146)    -                                 
16.1746  76.3004   80.00    2      a(2146)    -                                 
 0.0000  79.2866   80.00    2      a(2146)    -                                 
14.2258   0.0000  100.00    1      a(2146)    -                                 
26.9516 131.6110  100.00    1      a(2146)    -                                 
26.9516 131.6110  100.00    2      a(2146)    -                                 
 0.0000 110.9841  100.00    2      a(2146)    -                                 
 0.0000  14.8204    0.40    2      a(2147)    -                                 
 1.3753  13.6998    0.40    2      a(2147)    -                                 
 2.5948  13.0804    0.40    2      a(2147)    -                                 
 5.5465  19.4748    0.40    2      a(2147)    -                                 
 5.5465  19.4748    0.40    1      a(2147)    -                                 
 4.5004  10.0950    0.40    1      a(2147)    -                                 
 4.6963   7.5986    0.40    1      a(2147)    -                                 
 4.9425   5.0955    0.40    1      a(2147)    -                                 
 5.2019   2.9338    0.40    1      a(2147)    -                                 
 5.3877   1.4014    0.40    1      a(2147)    -                                 
 5.6126   0.0000    0.40    1      a(2147)    -                                 
 0.0000  26.2216   25.00    2      a(2147)   1.0                                
 1.1784  26.0930   25.00    2      a(2147)   1.0                                
 2.2707  25.7135   25.00    2      a(2147)   1.0                                
 3.2417  24.1635   25.00    2      a(2147)   0.0                                 
 4.1564  24.5801   25.00    2      a(2147)   1.0                                
 5.7807  24.9164   25.00    2      a(2147)   1.0                                
 5.7807  24.9164   25.00    1      a(2147)   1.0                                
 5.8464  18.8616   25.00    1      a(2147)   1.0                                
 6.0680  13.2685   25.00    1      a(2147)   1.0                                
 6.2567   9.7887   25.00    1      a(2147)   1.0                                
 6.5143   7.0731   25.00    1      a(2147)   1.0                                
 6.8944   4.0243   25.00    1      a(2147)   0.0                                 
 7.1789   1.7394   25.00    1      a(2147)   0.0                                 
 7.3897   0.0000   25.00    1      a(2147)   1.0                                
 0.0000  42.7623   50.00    2      a(2147)    -                                 
 3.3096  42.0053   50.00    2      a(2147)    -                                 
 6.3542  43.2377   50.00    2      a(2147)    -                                 
 8.6413  44.2296   50.00    2      a(2147)    -                                 
 8.6413  44.2296   50.00    1      a(2147)    -                                 
 7.3628  22.6546   50.00    1      a(2147)    -                                 
 8.1582  20.2605   50.00    1      a(2147)    -                                 
 8.6224   7.6535   50.00    1      a(2147)    -                                 
 8.9364   4.3285   50.00    1      a(2147)    -                                 
 9.2373   2.3590   50.00    1      a(2147)    -                                 
 9.4176   0.0000   50.00    1      a(2147)    -                                 
 3.8902   2.9608  -20.00    1      a(2148)    -                                 
 3.8902   2.9608  -20.00    3      a(2148)    -                                 
 3.2114   4.5221  -20.00    3      a(2148)    -                                 
 2.3368   6.4932  -20.00    3      a(2148)    -                                 
 1.9513   7.2352  -20.00    2      a(2148)    -                                 
 1.9513   7.2352  -20.00    3      a(2148)    -                                 
 3.2211   6.4577  -20.00    2      a(2148)    -                                 
 3.5368   6.2466  -20.00    1      a(2148)    -                                 
 3.5368   6.2466  -20.00    2      a(2148)    -                                 
 3.6935   4.0252  -20.00    1      a(2148)    -                                 
 4.3567   0.0000  -15.00    3      a(2148)    -                                 
 3.3160   1.3489  -15.00    3      a(2148)    -                                 
 3.0089   1.9778  -15.00    3      a(2148)    -                                 
 2.5470   2.8250  -15.00    3      a(2148)    -                                 
 1.6256   4.5266  -15.00    3      a(2148)    -                                 
 0.6386   6.4794  -15.00    3      a(2148)    -                                 
 0.0000   7.8541  -15.00    3      a(2148)    -                                 
 2.9929   0.0000  -10.00    3      a(2148)    -                                 
 1.8559   1.3915  -10.00    3      a(2148)    -                                 
 1.5346   2.0201  -10.00    3      a(2148)    -                                 
 0.9371   2.5362  -10.00    3      a(2148)    -                                 
 0.0000   4.4353  -10.00    3      a(2148)    -                                 
 0.0000  11.7655  -20.00    3      a(2148)    -                                 
 4.7653  14.9429  -10.00    1      a(2148)    -                                 
 4.7653  14.9429  -10.00    2      a(2148)    -                                 
 4.0211   8.3917  -10.00    1      a(2148)    -                                 
 4.1689   6.4861  -10.00    1      a(2148)    -                                 
 4.2137   4.5214  -10.00    1      a(2148)    -                                 
 4.4537   2.9029  -10.00    1      a(2148)    -                                 
 4.4387   1.9892  -10.00    1      a(2148)    -                                 
 4.6737   1.3580  -10.00    1      a(2148)    -                                 
 4.3852   0.0000  -10.00    1      a(2148)    -                                 
 1.5158   0.0000   -5.00    3      a(2148)    -                                 
 1.5158   0.0000   -5.00    1      a(2148)    -                                 
 0.3380   1.3976   -5.00    3      a(2148)    -                                 
 0.3380   1.3976   -5.00    2      a(2148)    -                                 
 0.0000   1.8668   -5.00    3      a(2148)    -                                 
 0.0000   1.8668   -5.00    2      a(2148)    -                                 
 5.5841   0.0000    0.00    1      a(2148)    -                                 
 5.3264   1.3959    0.00    1      a(2148)    -                                 
 5.2259   2.0162    0.00    1      a(2148)    -                                 
 5.1242   2.8975    0.00    1      a(2148)    -                                 
 4.9165   4.5025    0.00    1      a(2148)    -                                 
 4.6241   6.4894    0.00    1      a(2148)    -                                 
 4.4953   8.3448    0.00    1      a(2148)    -                                 
 3.7974   9.3700    0.00    1      a(2148)    -                                 
 3.7974   9.3700    0.00    2      a(2148)    -                                 
 6.2982   0.0000   10.00    1      a(2148)    -                                 
 6.4314   1.4205   10.00    1      a(2148)    -                                 
 5.9007   1.9901   10.00    1      a(2148)    -                                 
 5.1242   2.8975   10.00    1      a(2148)    -                                 
 4.8558   4.5430   10.00    1      a(2148)    -                                 
 4.7068   6.5125   10.00    1      a(2148)    -                                 
 4.4953   8.3448   10.00    1      a(2148)    -                                 
 4.6737  12.7772   10.00    1      a(2148)    -                                 
 7.0911   0.0000   20.00    1      a(2148)    -                                 
 6.7654   1.4394   20.00    1      a(2148)    -                                 
 6.7825   2.0187   20.00    1      a(2148)    -                                 
 6.6260   2.8466   20.00    1      a(2148)    -                                 
 6.3588   4.5044   20.00    1      a(2148)    -                                 
 6.8950   6.6504   20.00    1      a(2148)    -                                 
 5.8607   8.3784   20.00    1      a(2148)    -                                 
 5.6519  12.7838   20.00    1      a(2148)    -                                 
 5.3570  20.4568   20.00    1      a(2148)    -                                 
 7.8603   0.0000   30.00    1      a(2148)    -                                 
 7.4553   1.3965   30.00    1      a(2148)    -                                 
 7.3153   2.0175   30.00    1      a(2148)    -                                 
 7.1533   2.8120   30.00    1      a(2148)    -                                 
 6.9742   4.4234   30.00    1      a(2148)    -                                 
 6.8173   6.4345   30.00    1      a(2148)    -                                 
 6.4263   7.6131   30.00    1      a(2148)    -                                 
 5.9789  11.6491   30.00    1      a(2148)    -                                 
 6.1203  20.5990   30.00    1      a(2148)    -                                 
 7.0434   0.0000   20.00    1      a(2149)    -                                 
 5.5084   4.4027   20.00    1      a(2149)    -                                 
 5.5951  13.7967   20.00    1      a(2149)    -                                 
 5.1105  20.6289   20.00    1      a(2149)    -                                 
 0.0000  22.8713   20.00    2      a(2149)    -                                 
 3.4723  21.2107   20.00    2      a(2149)    -                                 
 5.1334  20.5822   20.00    2      a(2149)    -                                 
 3.532    5.494   -22.2     1         b       -     
 3.532    5.494   -22.2     2         b       -     
 3.532    5.494   -22.2     3         b       -     
 5.54    24.000    24.      1         c       -     
 5.54    24.000    24.      2         c       -     
 5.06    19.750    17.      1         c       -     
 5.06    19.750    17.      2         c       -     
 3.93    10.770    0.       1         c       -     
 3.93    10.770    0.       2         c       -     
 3.99    9.1600   -10.      1         d       -     
 3.99    9.1600   -10.      2         d       -     
 3.79     7.670   -15.      1         d       -     
 3.79     7.670   -15.      2         d       -     
 8.7975   0.0000   40       1         e       -     
 8.4297   2.6608   40       1         e       -     
 8.1834   5.6102   40       1         e       -     
 7.5894  11.0892   40       1         e       -        
 7.5687  33.0288   40       1         e       -        
 7.5687  33.0288   40       2         e       -        
 3.8947  32.2270   40       2         e       -        
 0.0000  32.6088   40       2         e       -        
 4.9695   0.0000  -10       1         e       -        
 4.6737   2.6484  -10       1         e       -        
 4.2088   6.4974  -10       1         e       -        
 3.6963   8.7881  -10       1         e       -        
 3.6963   8.7881  -10       2         e       -        
 1.5750   9.3356  -10       2         e       -        
 0.0000   9.8961  -10       2         e       -        
 2.2400   0.0000  -10       3         e       -        
 1.9714   0.9918  -10       3         e       -        
 1.1785   2.1620  -10       3         e       -        
 0.0000   4.0761  -10       3         e       -        
 4.0978   2.6669  -20       1         e       -        
 3.7621   4.3320  -20       1         e       -        
 4.1371   2.0217  -20       1         e       -        
 4.1371   2.0217  -20       3         e       -        
 3.5190   6.1522  -20       1         e       -        
 3.5190   6.1522  -20       2         e       -        
 3.4363   6.2782  -20       1         e       -        
 3.4363   6.2782  -20       2         e       -        
 1.9809   6.8672  -20       2         e       -        
 1.6742   7.1065  -20       2         e       -        
 1.6742   7.1065  -20       3         e       -        
 2.4790   5.3403  -20       3         e       -        
 3.2909   3.7886  -20       3         e       -        
 3.982    5.633   -22.3     1         e       - 
 3.982    5.633   -22.3     2         e       - 
 3.982    5.633   -22.3     3         e       -

Notes and References

Prefix m denotes molality; t - experimental temperature (^oC); solid - identity of the solid which the solution is saturated with respect to; ref. - source of data; weight - the weight given to the data point in the fit of the model (normalised).
Solids: 1 = NH4Cl(s), 2 = NH4NO3(s), 3 = ice.
Sources: a - H. L. Silcock, Solubilities of Inorganic and Organic Compounds, Vol. 3, Pergamon, Oxford, 1979, (the table numbers are given in parentheses); b - D. Mazzotto (1891) Nuovo Cimento [3] 29, 21-36; c - E. Rengade (1917) Rev. Chim. Pure Appl. 28, 489-499; d - I. Kritschewsky and E. Goldmann (1934) Z. Anorg. Allgem. Chim. 218, 253-254; e - Y. Hara, N. Akiyoshi, N. Nawachi, and H. Nakamura (1991) H. Kogyo Kayaku 52, 239-245.
A few missing data points from reference a(2147) have been added from the original paper of Prutton et al. (C. G. Prutton, J. C. Brosheer and S. H. Maran (1935) J. Am. Chem. Soc. 57, 1656-1657).

(2) Water Activities from Electrodynamic Balance Measurements

 mNH4Cl  mNH4NO3     aW          t    ref. np   weight
 3.0536   3.0536   0.83420     23.4    f    1    0.0   
 3.0958   3.0958   0.82885     23.4    f    1    0.0   
 3.2547   3.2547   0.81886     23.4    f    1    0.0   
 3.7938   3.7938   0.79181     23.4    f    1    0.0   
 4.2082   4.2082   0.77613     23.4    f    1    0.0
 4.8530   4.8530   0.75452     23.4    f    1    0.0
 5.4310   5.4310   0.73718     23.4    f    1    0.0
 6.2335   6.2335   0.71160     23.4    f    1    0.0
 6.9435   6.9435   0.69159     23.4    f    1    0.0
 7.7655   7.7655   0.66984     23.4    f    1    0.0
 8.5455   8.5455   0.64674     23.4    f    1    0.0
 9.7990   9.7990   0.61404     23.4    f    1    0.0
11.8250  11.8250   0.57240     23.4    f    1    0.0
12.8480  12.8480   0.54756     23.4    f    1    0.0
14.6375  14.6375   0.51668     23.4    f    1    0.0
16.6865  16.6865   0.48736     23.4    f    1    0.0
17.3250  17.3250   0.47442     23.4    f    1    0.0
19.7545  19.7545   0.45727     23.4    f    1    0.0
20.3280  20.3280   0.45044     23.4    f    1    0.0
21.1405  21.1405   0.43837     23.4    f    1    0.0
23.0180  23.0180   0.42872     23.4    f    1    0.0
23.7650  23.7650   0.42153     23.4    f    1    0.0
26.3795  26.3795   0.41357     23.4    f    1    0.0
27.7325  27.7325   0.40836     23.4    f    1    0.0
 3.8433   3.8433   0.80780     23.4    f    2    0.0
 3.8782   3.8782   0.80397     23.4    f    2    0.0
 3.9749   3.9749   0.79786     23.4    f    2    0.0
 4.2471   4.2471   0.78110     23.4    f    2    0.0
 4.4882   4.4882   0.76984     23.4    f    2    0.0
 4.9142   4.9142   0.75000     23.4    f    2    0.0
 5.2495   5.2495   0.73878     23.4    f    2    0.0
 5.5480   5.5480   0.72888     23.4    f    2    0.0
 5.9195   5.9195   0.71789     23.4    f    2    0.0
 6.3670   6.3670   0.70481     23.4    f    2    0.0
 6.7875   6.7875   0.69392     23.4    f    2    0.0
 7.3150   7.3150   0.67972     23.4    f    2    0.0
 7.5820   7.5820   0.67082     23.4    f    2    0.0
 8.1150   8.1150   0.65518     23.4    f    2    0.0
 8.8330   8.8330   0.63805     23.4    f    2    0.0
 9.8960   9.8960   0.61908     23.4    f    2    0.0
10.7080  10.7080   0.60467     23.4    f    2    0.0
11.6520  11.6520   0.58391     23.4    f    2    0.0
12.8100  12.8100   0.55686     23.4    f    2    0.0
13.5105  13.5105   0.53276     23.4    f    2    0.0
14.9355  14.9355   0.50895     23.4    f    2    0.0
15.7935  15.7935   0.48898     23.4    f    2    0.0
17.0950  17.0950   0.47523     23.4    f    2    0.0
17.9885  17.9885   0.46674     23.4    f    2    0.0
18.3695  18.3695   0.45617     23.4    f    2    0.0
20.3035  20.3035   0.43781     23.4    f    2    0.0