Model III: Data for Aqueous Na+ - 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 4 of Clegg et al. (1997). Fits of the model are described in that paper, and in section 3.17 of Clegg et al. (1998b). The following types of data were considered:
  1. Saturation with respect to the solids NaNO3(s) and NaCl(s) in the ternary solution.
  2. Osmotic coefficients from isopiestic experiments.
  3. Mean activity coefficients of NaCl from electromotive force experiments.
  4. Osmotic coefficients from electrodynamic balance measurements (not fitted).
References:
S. L. Clegg, P. Brimblecombe, Z. Liang and C. K. Chan (1997) Aerosol Science and Technology 27, 345-366.
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

   mNaCl       mNaNO3        t     solid   ref.  weight
   6.201194    0.000000    25.00      1     a     0.0      
   5.712281    1.685637    25.00      1     a     0.33     
   5.158032    3.452481    25.00      1     a     0.33     
   4.642899    5.119453    25.00      1     a     0.33     
   4.168202    6.916612    25.00      1     a     0.33     
   4.168202    6.916612    25.00      2     a     1.0      
   3.012289    7.782605    25.00      2     a     1.0      
   2.001221    8.944445    25.00      2     a     1.0      
   1.017549    9.674776    25.00      2     a     1.0      
   0.000000   10.773044    25.00      2     a     0.0      
   4.136044    6.708376    25.00      1     a     0.33     
   4.136044    6.708376    25.00      2     a     0.6      
   1.901285    8.971773    26.50      2     a     0.6      
   4.438058    5.205622    26.00      1     a     0.0      
   4.825462    4.525490    25.40      1     a     0.2      
   5.704697    1.667780    25.40      1     a     0.2      
   6.016198    0.617804    26.50      1     a     0.2      
   5.612038    2.076124    25.80      1     a     0.2      
   5.387898    2.583289    25.90      1     a     0.2      
   0.967000    9.660000    23.56      2     a     0.6      
   6.20        0.          25.00      1     b     0.33     
   6.11        0.25        25.00      1     b     0.33     
   6.03        0.50        25.00      1     b     0.33     
   5.88        1.0         25.00      1     b     0.33     
   5.58        2.0         25.00      1     b     0.33     
   3.684       6.278       25.00      1     c     0.0      
   3.684       6.278       25.00      2     c     0.0      
Notes and References


(2) Osmotic Coefficients from Isopiestic Experiments

   mNaCl       mNaNO3        t       osm   ref.   weight    
   3.6967      0.6163      25.0     1.0853  d       1.0    
   3.3587      1.0823      25.0     1.0540  d       1.0    
   2.9057      1.7183      25.0     1.0123  d       1.0    
   2.5423      2.2337      25.0     0.9801  d       1.0    
   2.0940      2.8740      25.0     0.9422  d       1.0    
   1.6826      3.4694      25.0     0.9086  d       1.0    
   1.2928      4.0362      25.0     0.8784  d       1.0    
   0.8894      4.6346      25.0     0.8474  d       1.0    
   0.4144      5.3576      25.0     0.8110  d       1.0    
   0.0000      5.9800      25.0     0.7828  d       0.0    
   3.7740      0.0000      25.0     1.1013  d       0.0    
   3.3513      0.5587      25.0     1.0630  d       1.0    
   3.0381      0.9789      25.0     1.0347  d       1.0    
   2.6179      1.5481      25.0     0.9977  d       1.0    
   2.2846      2.0074      25.0     0.9684  d       1.0    
   1.8765      2.5755      25.0     0.9336  d       1.0    
   1.5037      3.1003      25.0     0.9028  d       1.0    
   1.1526      3.5984      25.0     0.8748  d       1.0    
   0.7903      4.1187      25.0     0.8467  d       1.0    
   0.3669      4.7431      25.0     0.8134  d       1.0    
   0.0000      5.2780      25.0     0.7875  d       0.0    
   3.3040      0.0000      25.0     1.0691  d       0.0    
   2.9210      0.4870      25.0     1.0365  d       1.0    
   2.6410      0.8510      25.0     1.0115  d       1.0    
   2.2654      1.3396      25.0     0.9798  d       1.0    
   1.9716      1.7324      25.0     0.9536  d       1.0    
   1.6118      2.2122      25.0     0.9237  d       1.0    
   1.1082      2.2848      25.0     1.0410  d       0.0    
   0.9830      3.0690      25.0     0.8717  d       1.0    
   0.6715      3.4995      25.0     0.8469  d       1.0    
   0.3102      4.0098      25.0     0.8176  d       1.0    
   0.0000      4.4480      25.0     0.7941  d       0.0    
   3.0650      0.0000      25.0     1.0530  d       0.0    
   2.7050      0.4510      25.0     1.0226  d       1.0    
   2.4413      0.7867      25.0     0.9998  d       1.0    
   2.0882      1.2348      25.0     0.9713  d       1.0    
   1.8146      1.5944      25.0     0.9468  d       1.0    
   1.4812      2.0328      25.0     0.9185  d       1.0    
   1.1800      2.4330      25.0     0.8933  d       1.0    
   0.8996      2.8084      25.0     0.8704  d       1.0    
   0.6134      3.1966      25.0     0.8471  d       1.0    
   0.2826      3.6534      25.0     0.8200  d       1.0    
   0.0000      4.0440      25.0     0.7981  d       0.0    
   2.7200      0.0000      25.0     1.0320  d       0.0    
   2.3947      0.3993      25.0     1.0046  d       1.0    
   2.1585      0.6955      25.0     0.9835  d       1.0    
   1.8400      1.0880      25.0     0.9587  d       1.0    
   1.5974      1.4036      25.0     0.9353  d       1.0    
   1.2970      1.7800      25.0     0.9122  d       1.0    
   1.0304      2.1246      25.0     0.8897  d       1.0    
   0.7836      2.4464      25.0     0.8690  d       1.0    
   0.5332      2.7788      25.0     0.8475  d       1.0    
   0.2447      3.1633      25.0     0.8236  d       1.0    
   0.0000      3.4940      25.0     0.8034  d       0.0    
   2.4700      0.0000      25.0     1.0158  d       0.0    
   2.1659      0.3611      25.0     0.9929  d       1.0    
   1.9520      0.6290      25.0     0.9722  d       1.0    
   1.6583      0.9807      25.0     0.9508  d       1.0    
   1.4351      1.2609      25.0     0.9307  d       1.0    
   1.1646      1.5984      25.0     0.9081  d       1.0    
   0.9233      1.9037      25.0     0.8876  d       1.0    
   0.7004      2.1866      25.0     0.8691  d       1.0    
   0.4762      2.4818      25.0     0.8482  d       1.0    
   0.2177      2.8143      25.0     0.8275  d       1.0    
   0.0000      3.1020      25.0     0.8089  d       0.0    
   0.529745    0.491155    25.0     0.8995  e       1.0    
   0.540279    0.497921    25.0     0.9004  e       1.0    
   0.620511    0.421489    25.0     0.9061  e       1.0    
   0.412729    0.648271    25.0     0.8899  e       1.0    
   0.211511    0.870389    25.0     0.8727  e       1.0    
   1.711504    0.550296    25.0     0.9596  e       1.0    
   1.264447    1.084953    25.0     0.9238  e       1.0    
   0.842202    1.601798    25.0     0.8880  e       1.0    
   0.429088    2.114412    25.0     0.8533  e       1.0    
   2.177998    0.890902    25.0     0.9814  e       1.0    
   1.586000    1.644800    25.0     0.9322  e       1.0    
   1.237988    2.095312    25.0     0.9036  e       1.0    
   0.514696    3.057104    25.0     0.8432  e       1.0    
   3.277324    1.340576    25.0     1.0431  e       1.0    
   2.437613    2.527987    25.0     0.9701  e       1.0    
   1.928643    3.264257    25.0     0.9276  e       1.0    
   0.825534    4.903366    25.0     0.8408  e       1.0    
Notes and References


(3) Mean Activity Coefficients of NaCl

   mNaCl       mNaNO3        t       Y      ref.  weight 
   0.44375     0.05625     25.0   -0.1661    f     1.0   
   0.36225     0.13775     25.0   -0.1728    f     1.0  
   0.30600     0.19400     25.0   -0.1784    f     1.0  
   0.26490     0.23510     25.0   -0.1724    f     1.0   
   0.23355     0.26645     25.0   -0.1789    f     1.0   
   0.20880     0.29120     25.0   -0.1799    f     1.0   
   0.18880     0.31120     25.0   -0.1834    f     1.0   
   0.17230     0.32770     25.0   -0.1805    f     1.0   
   0.15845     0.34155     25.0   -0.1792    f     1.0   
   0.14670     0.35330     25.0   -0.1793    f     1.0   
   0.13650     0.36350     25.0   -0.1807    f     1.0   
   0.10165     0.39835     25.0   -0.1843    f     1.0   
   0.05660     0.44340     25.0   -0.1838    f     1.0   
   0.88730     0.11270     25.0   -0.1817    f     1.0   
   0.79740     0.20260     25.0   -0.1923    f     1.0   
   0.72400     0.27600     25.0   -0.1883    f     1.0   
   0.66300     0.33700     25.0   -0.1945    f     1.0   
   0.61150     0.38850     25.0   -0.1939    f     1.0   
   0.56740     0.43260     25.0   -0.2030    f     1.0   
   0.49590     0.50410     25.0   -0.1991    f     1.0   
   0.44040     0.55960     25.0   -0.1987    f     1.0   
   0.39610     0.60390     25.0   -0.2010    f     1.0   
   0.35990     0.64010     25.0   -0.2055    f     1.0   
   0.32970     0.67030     25.0   -0.2119    f     1.0   
   0.30420     0.69580     25.0   -0.2113    f     1.0   
   0.28240     0.71760     25.0   -0.2121    f     1.0   
   0.20930     0.79070     25.0   -0.2147    f     1.0   
   0.11690     0.88310     25.0   -0.2149    f     1.0   
   1.76920     0.23080     25.0   -0.1821    f     0.0   
   1.58620     0.41380     25.0   -0.1834    f     0.0   
   1.43740     0.56260     25.0   -0.1877    f     0.0   
   1.31420     0.68580     25.0   -0.1936    f     0.0   
   1.12200     0.87800     25.0   -0.1931    f     0.0   
   0.97880     1.02120     25.0   -0.1972    f     0.0   
   0.91320     1.08680     25.0   -0.1991    f     0.0   
   0.86800     1.13200     25.0   -0.2050    f     0.0   
   0.82380     1.17620     25.0   -0.2021    f     0.0   
   0.77960     1.22040     25.0   -0.2070    f     0.0   
   0.71820     1.28180     25.0   -0.2061    f     0.0   
   0.64780     1.35220     25.0   -0.2091    f     0.0   
   0.59740     1.40260     25.0   -0.2084    f     0.0   
   0.43760     1.56240     25.0   -0.2169    f     0.0   
   0.24560     1.75440     25.0   -0.2183    f     0.0   
   2.64930     0.35070     25.0   -0.1619    f     1.0   
   2.37210     0.62790     25.0   -0.1718    f     1.0   
   2.14740     0.85260     25.0   -0.1756    f     1.0   
   1.96170     1.03830     25.0   -0.1814    f     1.0   
   1.80540     1.19460     25.0   -0.1888    f     1.0   
   1.67220     1.32780     25.0   -0.1976    f     1.0   
   1.55760     1.44240     25.0   -0.1991    f     1.0   
   1.45740     1.54260     25.0   -0.2016    f     1.0   
   1.36920     1.63080     25.0   -0.2051    f     1.0   
   1.29120     1.70880     25.0   -0.2008    f     1.0   
   1.22190     1.77810     25.0   -0.2057    f     1.0   
   1.10280     1.89720     25.0   -0.2090    f     1.0   
   1.00500     1.99500     25.0   -0.2142    f     1.0   
   0.92340     2.07660     25.0   -0.2212    f     1.0   
   0.85380     2.14620     25.0   -0.2212    f     1.0   
   0.68460     2.31540     25.0   -0.2326    f     1.0   
   0.38640     2.61360     25.0   -0.2440    f     1.0   
   1.000       0.000       25.0   -0.182     g     1.0  
   0.976       0.024       25.0   -0.183     g     1.0  
   0.931       0.069       25.0   -0.185     g     1.0  
   0.871       0.129       25.0   -0.186     g     1.0  
   0.818       0.182       25.0   -0.189     g     1.0  
   0.756       0.244       25.0   -0.190     g     1.0    
   0.704       0.296       25.0   -0.192     g     1.0    
   0.637       0.363       25.0   -0.194     g     1.0    
   0.582       0.418       25.0   -0.196     g     1.0    
   0.529       0.471       25.0   -0.198     g     1.0    
   0.484       0.516       25.0   -0.200     g     1.0    
   0.447       0.553       25.0   -0.201     g     1.0    
   0.406       0.594       25.0   -0.202     g     1.0    
   0.373       0.627       25.0   -0.204     g     1.0    
   0.346       0.654       25.0   -0.205     g     1.0    
   0.300       0.700       25.0   -0.206     g     1.0    
   0.247       0.753       25.0   -0.208     g     1.0    
   0.185       0.815       25.0   -0.210     g     1.0    
   0.132       0.868       25.0   -0.212     g     1.0    
   0.070       0.930       25.0   -0.214     g     1.0    
   0.025       0.975       25.0   -0.217     g     1.0    
   3.000       0.000       25.0   -0.146     g     1.0    
   2.929       0.071       25.0   -0.150     g     1.0    
   2.861       0.139       25.0   -0.152     g     1.0    
   2.735       0.265       25.0   -0.155     g     1.0    
   2.619       0.381       25.0   -0.159     g     1.0    
   2.462       0.538       25.0   -0.165     g     1.0    
   2.239       0.761       25.0   -0.172     g     1.0    
   1.867       1.133       25.0   -0.188     g     1.0    
   1.718       1.282       25.0   -0.193     g     1.0    
   1.594       1.406       25.0   -0.200     g     1.0    
   1.443       1.557       25.0   -0.205     g     1.0    
   1.257       1.743       25.0   -0.211     g     1.0    
   1.020       1.980       25.0   -0.219     g     1.0    
   0.876       2.124       25.0   -0.224     g     1.0    
   0.708       2.292       25.0   -0.231     g     1.0    
   0.565       2.435       25.0   -0.237     g     1.0    
   0.280       2.720       25.0   -0.253     g     1.0    
   0.075       2.925       25.0   -0.260     g     1.0    
   6.000       0.000       25.0   -0.006     g     0.0
   5.862       0.138       25.0   -0.013     g     0.0
   5.605       0.395       25.0   -0.021     g     0.0
   5.258       0.742       25.0   -0.033     g     0.0
   4.952       1.048       25.0   -0.042     g     0.0
   4.595       1.405       25.0   -0.051     g     0.0
   4.286       1.714       25.0   -0.062     g     0.0
   3.954       2.046       25.0   -0.070     g     0.0
   3.617       2.383       25.0   -0.082     g     0.0
   3.334       2.666       25.0   -0.089     g     0.0
   3.091       2.909       25.0   -0.099     g     0.0
   2.882       3.118       25.0   -0.104     g     0.0
   2.643       3.357       25.0   -0.113     g     0.0
   2.441       3.559       25.0   -0.120     g     0.0
   2.336       3.664       25.0   -0.122     g     0.0
   2.227       3.773       25.0   -0.126     g     0.0
   2.082       3.918       25.0   -0.131     g     0.0
   1.790       4.210       25.0   -0.141     g     0.0
   1.460       4.540       25.0   -0.151     g     0.0
   1.052       4.948       25.0   -0.164     g     0.0
   0.704       5.296       25.0   -0.173     g     0.0
   0.443       5.557       25.0   -0.182     g     0.0
Notes and References


(4) Osmotic Coefficients from Electrodynamic Balance Experiments

   mNaCl   mNaNO3   osm        t    np    ref.  weight  
  1.5650   4.6951   0.8529    25    1      h      -       
  1.2524   3.7571   0.8356    25    1      h      -       
  1.9170   5.7511   0.8993    25    1      h      -       
  2.6380   7.9140   0.9120    25    1      h      -       
  3.4543  10.3628   0.9505    25    1      h      -       
  4.1810  12.5430   0.9861    25    1      h      -       
  4.8213  14.4638   1.0683    25    1      h      -       
  5.6218  16.8653   1.1278    25    1      h      -       
  6.7140  20.1420   1.1271    25    1      h      -       
  1.7102   5.1307   0.8549    25    2      h      -       
  1.3530   4.0589   0.8335    25    2      h      -       
  2.1594   6.4783   0.9244    25    2      h      -       
  2.8348   8.5043   0.9404    25    2      h      -       
  3.5848  10.7543   0.9887    25    2      h      -       
  4.2098  12.6293   1.0433    25    2      h      -       
  4.9600  14.8800   1.1108    25    2      h      -       
  4.3211   1.4404   1.0749    25    1      h      -       
  2.9576   0.9859   1.0126    25    1      h      -       
  3.4733   1.1578   1.0807    25    1      h      -       
  5.3079   1.7693   1.3101    25    1      h      -       
  6.6268   2.2089   1.4265    25    1      h      -       
  8.0468   2.6823   1.5512    25    1      h      -       
  9.1358   3.0453   1.5432    25    1      h      -       
 53.5058  17.8353   0.3274    25    1      h      -       
 54.6983  18.2328   0.3941    25    1      h      -       
  3.9371   1.3124   1.0880    25    2      h      -       
  3.2153   1.0718   1.0521    25    2      h      -       
  4.8265   1.6089   1.1779    25    2      h      -       
  6.2639   2.0880   1.2963    25    2      h      -       
  7.2981   2.4327   1.4761    25    2      h      -       
  9.5813   3.1938   1.5721    25    2      h      -       
 10.2968   3.4323   1.5919    25    2      h      -       
 48.1178  16.0393   0.3836    25    2      h      -       
 49.9425  16.6475   0.4399    25    2      h      -       
  2.4374  0.8125    1.6408    25    1      h      -       
  3.5879  1.1960    1.1536    25    1      h      -       
  3.7359  1.2453    1.1378    25    1      h      -       
  4.0676  1.3559    1.0961    25    1      h      -       
  4.3121  1.4374    1.1236    25    1      h      -       
  5.0765  1.6922    1.1401    25    1      h      -       
  5.4768  1.8256    1.1972    25    1      h      -       
  5.9939  1.9980    1.2336    25    1      h      -       
  6.4798  2.1599    1.2483    25    1      h      -       
  7.0725  2.3575    1.2881    25    1      h      -       
  7.4010  2.4670    1.3262    25    1      h      -       
  7.8472  2.6158    1.3348    25    1      h      -       
  8.5830  2.8610    1.3541    25    1      h      -       
  9.2063  3.0688    1.3414    25    1      h      -       
 10.0485  3.3495    1.3607    25    1      h      -       
 10.4505  3.4835    1.3853    25    1      h      -       
 10.7460  3.5820    1.4219    25    1      h      -       
 11.4540  3.8180    1.3919    25    1      h      -       
 11.6738  3.8913    1.4102    25    1      h      -       
  3.4713  1.1571    1.1144    25    2      h      -       
  3.5892  1.1964    1.1267    25    2      h      -       
  3.7168  1.2389    1.1188    25    2      h      -       
  4.0118  1.3373    1.1058    25    2      h      -       
  4.2634  1.4211    1.1102    25    2      h      -       
  4.5287  1.5096    1.1246    25    2      h      -       
  4.8656  1.6219    1.1555    25    2      h      -       
  5.1869  1.7290    1.1726    25    2      h      -       
  5.4818  1.8273    1.1530    25    2      h      -       
  6.7604  2.2535    1.2700    25    2      h      -       
  7.4059  2.4686    1.3278    25    2      h      -       
  7.8203  2.6068    1.2874    25    2      h      -       
  8.4233  2.8077    1.3130    25    2      h      -       
  9.1260  3.0420    1.3254    25    2      h      -       
  9.6690  3.2230    1.3332    25    2      h      -       
 10.1775  3.3925    1.3461    25    2      h      -       
 10.4100  3.4700    1.3691    25    2      h      -       
 10.7228  3.5743    1.3833    25    2      h      -       
 10.9410  3.6470    1.4245    25    2      h      -       
 11.5095  3.8365    1.4165    25    2      h      -       
 3.0685   3.0685    1.0171    25    1      h      -       
 3.5868   3.5868    0.9350    25    1      h      -       
 3.8428   3.8428    0.9610    25    1      h      -       
 4.1018   4.1018    1.0279    25    1      h      -       
 4.6321   4.6321    1.0601    25    1      h      -       
 4.9167   4.9167    1.1090    25    1      h      -       
 5.3055   5.3055    1.1514    25    1      h      -       
 5.6455   5.6455    1.1745    25    1      h      -       
 5.9295   5.9295    1.2131    25    1      h      -       
 6.3995   6.3995    1.2343    25    1      h      -       
 6.7440   6.7440    1.2293    25    1      h      -       
 7.0235   7.0235    1.2245    25    1      h      -       
 7.4890   7.4890    1.2303    25    1      h      -       
 8.0445   8.0445    1.2141    25    1      h      -       
 8.2225   8.2225    1.2527    25    1      h      -       
 8.5465   8.5465    1.2522    25    1      h      -       
 8.6715   8.6715    1.2600    25    1      h      -       
 8.9030   8.9030    1.2636    25    1      h      -       
 9.3645   9.3645    1.2486    25    1      h      -       
 9.4370   9.4370    1.2635    25    1      h      -       
 9.5235   9.5235    1.2688    25    1      h      -       
 9.6315   9.6315    1.2703    25    1      h      -       
 2.9487   2.9487    0.9662    25    2      h      -       
 3.0182   3.0182    0.9881    25    2      h      -       
 3.1838   3.1838    0.9796    25    2      h      -       
 3.5837   3.5837    1.0374    25    2      h      -       
 4.2046   4.2046    1.0889    25    2      h      -       
 4.7830   4.7830    1.1081    25    2      h      -       
 5.1900   5.1900    1.1623    25    2      h      -       
 5.9550   5.9550    1.1818    25    2      h      -       
 6.4660   6.4660    1.1843    25    2      h      -       
 6.7350   6.7350    1.2046    25    2      h      -       
 7.1570   7.1570    1.2121    25    2      h      -       
 7.5275   7.5275    1.2224    25    2      h      -       
 7.8935   7.8935    1.2376    25    2      h      -       
 8.2470   8.2470    1.2456    25    2      h      -       
 8.7240   8.7240    1.2344    25    2      h      -       
 9.0760   9.0760    1.2308    25    2      h      -       
 9.2375   9.2375    1.2550    25    2      h      -       
 9.4645   9.4645    1.2524    25    2      h      -       
 9.6365   9.6365    1.2630    25    2      h      -       
Notes and References