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Table C.2

Coefficients for the fit of the temperature-dependent mass action constants of ions (including anions).

Species a0 a1 b0 b1 b2 Reference
Li+ −6.257651e+04 2.445125e+00 −1.458903e+01 6.911880e-05 −9.971750e-09 b
Li2+ −9.403432e+05 4.954491e+00 −2.817262e+01 5.864958e-05 −8.710342e-09 b
Li 7.168737e+03 −2.523718e+00 1.366656e+01 3.180655e-05 −5.015196e-09 b
Be+ −1.081981e+05 2.448287e+00 −1.320213e+01 4.864945e-05 −5.720544e-09 a
Be2+ −3.195220e+05 4.969213e+00 −2.825779e+01 3.688612e-05 −4.907970e-09 b
B+ −9.628053e+04 2.499047e+00 −1.600591e+01 7.692046e-07 −9.594323e-11 a
B2+ −3.195039e+05 4.996323e+00 −2.951576e+01 2.978475e-06 −3.149719e-10 a
B 3.222835e+03 −2.486416e+00 1.454006e+01 −1.579851e-05 3.089472e-09 a
C2+ −4.135903e+05 4.984436e+00 −3.053864e+01 1.684809e-05 −3.164118e-09 a
N2+ −5.122099e+05 5.230785e+00 −2.965536e+01 −1.073986e-04 6.073966e-09 a
O2+ −5.656110e+05 5.242922e+00 −3.012987e+01 −1.230956e-04 8.130114e-09 a
F2+ −6.080289e+05 4.758626e+00 −2.708094e+01 9.538401e-05 −5.702377e-09 a
Ne2+ −7.255567e+05 5.331451e+00 −2.883738e+01 −8.033248e-05 3.091043e-09 a
Na2+ −6.083678e+05 4.994249e+00 −2.778162e+01 1.569849e-04 −1.785986e-08 a
Mg2+ −2.632132e+05 4.967207e+00 −2.824584e+01 3.926133e-05 −5.215984e-09 a
Al2+ −2.879089e+05 4.883613e+00 −2.873766e+01 6.361646e-05 −4.708568e-09 a
Si2+ −2.841943e+05 4.782967e+00 −2.910203e+01 1.008866e-04 −1.017122e-08 a
P2+ −3.510207e+05 5.702043e+00 −3.321286e+01 −2.354251e-04 6.150734e-09 a
S2+ −3.910012e+05 5.789528e+00 −3.409596e+01 −3.487582e-04 2.160394e-08 a
Cl2+ −4.268605e+05 4.843548e+00 −2.745382e+01 −1.815412e-05 5.086697e-09 a
Ar2+ −5.034790e+05 5.165356e+00 −2.791532e+01 5.757654e-05 −6.291260e-09 a
K2+ −4.174481e+05 4.800569e+00 −2.660964e+01 3.187530e-04 −3.631262e-08 a
Ca2+ −2.087315e+05 4.826088e+00 −2.741512e+01 2.233377e-04 −3.281908e-08 a
Ca 2.491226e+02 −2.330029e+00 1.530053e+01 −6.796035e-05 5.088252e-09 a
Sc+ −7.630457e+04 1.939671e+00 −1.029001e+01 5.553202e-04 −4.992972e-08 c
Sc2+ −2.246849e+05 4.929991e+00 −2.810383e+01 1.530566e-04 −2.843184e-08 a
Sc 2.178975e+03 −2.360998e+00 1.380622e+01 2.356529e-05 5.089711e-10 a
Ti2+ −2.367560e+05 5.084696e+00 −2.902846e+01 −1.698708e-05 −1.619924e-08 a
V2+ −2.484095e+05 5.040063e+00 −2.863070e+01 −1.905291e-04 8.702925e-09 a
Cr2+ −2.698671e+05 5.771943e+00 −3.258554e+01 −3.510903e-04 5.252151e-09 a
Mn2+ −2.677758e+05 4.913883e+00 −2.793082e+01 1.069395e-04 −1.499061e-08 a
Fe2+ −2.795485e+05 5.019119e+00 −2.859377e+01 1.347711e-05 −1.155154e-08 a
Co2+ −2.896757e+05 5.142486e+00 −2.926769e+01 −2.023968e-04 9.480268e-09 a
Ni2+ −2.995070e+05 4.693818e+00 −2.697957e+01 1.608813e-04 −1.118022e-08 a
Cu2+ −3.251517e+05 4.903999e+00 −2.684981e+01 2.482547e-04 −2.988537e-08 a
Zn2+ −3.174840e+05 4.996642e+00 −2.842085e+01 3.752581e-06 −4.509092e-10 a
Ga+ −6.980530e+04 1.607740e+00 −9.320869e+00 3.015434e-04 −1.633885e-08 b
Ga2+ −3.077803e+05 4.331296e+00 −2.435889e+01 1.712459e-04 −6.810332e-09 b
Ga 5.057817e+03 −1.891447e+00 1.006145e+01 −2.051303e-04 1.451311e-08 b
Ge+ −9.176634e+04 1.425826e+00 −7.483645e+00 5.963214e-04 −4.297209e-08 b
Ge2+ −2.767541e+05 3.722745e+00 −2.089299e+01 3.763743e-04 −2.132323e-08 b
Ge 1.413645e+04 −3.747478e+00 2.298821e+01 3.220351e-04 −9.528489e-09 b
As+ −1.132523e+05 3.756197e+00 −2.390343e+01 −1.167552e-04 −8.836227e-09 b
As2+ −3.298491e+05 4.732759e+00 −2.765064e+01 4.718120e-04 −4.177260e-08 b
As 9.334082e+03 −2.584351e+00 1.486495e+01 2.373549e-04 −2.365011e-08 b
Se+ −1.131779e+05 2.554645e+00 −1.466664e+01 −2.114424e-04 1.839430e-08 b
Se2+ −3.590378e+05 5.062661e+00 −3.069360e+01 4.448638e-04 −3.987156e-08 b
Se 2.343896e+04 −2.524085e+00 1.420115e+01 −8.135546e-05 6.462952e-09 b
Rb+ −4.854618e+04 2.197062e+00 −1.301519e+01 2.942980e-04 −3.670703e-08 b
Rb2+ −3.651322e+05 4.808020e+00 −2.660509e+01 2.284562e-04 −2.926039e-08 b
Rb 5.642096e+03 −2.471924e+00 1.337032e+01 −4.960086e-05 9.617959e-09 b
Sr+ −6.614589e+04 2.245360e+00 −1.194103e+01 2.583965e-04 −3.380599e-08 a
Sr2+ −1.941161e+05 4.792835e+00 −2.722238e+01 2.716941e-04 −4.104279e-08 b
Sr 6.627934e+02 −1.992876e+00 1.269203e+01 −1.370573e-04 4.628944e-09 a
Y+ −7.176276e+04 4.188361e+00 −2.641749e+01 −4.324053e-04 7.814626e-09 a
Y2+ −2.141923e+05 4.843393e+00 −2.767314e+01 2.539009e-04 −3.793062e-08 b
Y 3.556755e+03 −2.634410e+00 1.507707e+01 4.561236e-04 −3.724981e-08 a
Zr+ −7.701333e+04 2.627948e+00 −1.484642e+01 3.778927e-05 −1.404338e-08 a
Zr2+ −2.293259e+05 5.104568e+00 −2.914197e+01 −1.287425e-04 −5.281367e-09 a
Zr 5.029101e+03 −2.350380e+00 1.428294e+01 −1.913007e-04 8.780821e-09 a
Nb+ −7.857835e+04 2.612763e+00 −1.580872e+01 1.123904e-04 −1.049845e-08 a
Nb2+ −2.445578e+05 5.211120e+00 −3.088235e+01 −3.620478e-05 −5.447194e-09 a
Nb 1.058498e+04 −3.066374e+00 1.704201e+01 −8.271939e-05 2.007041e-08 a
Mo+ −8.230749e+04 2.489498e+00 −1.430508e+01 6.234623e-06 −4.526990e-10 a
Mo2+ −2.697311e+05 6.302578e+00 −3.729495e+01 −2.766927e-04 −3.447993e-09 a
Mo 8.620377e+03 −2.969326e+00 1.665969e+01 8.507653e-04 −7.317276e-08 a
Ru+ −8.543378e+04 2.412469e+00 −1.375638e+01 6.152285e-07 −3.017937e-09 a
Ru2+ −2.798820e+05 5.157276e+00 −2.959099e+01 −1.427370e-04 6.698495e-11 a
Ru 1.211661e+04 −2.677755e+00 1.518654e+01 1.408877e-04 −1.581984e-08 a
Rh+ −8.660251e+04 2.382664e+00 −1.346571e+01 −9.551840e-05 7.588277e-09 a
Rh2+ −2.963766e+05 4.971467e+00 −2.820594e+01 −1.055777e-04 7.448432e-09 a
Rh 1.317054e+04 −2.981142e+00 1.499211e+01 1.587576e-04 1.303818e-08 a
Pd+ −9.650404e+04 3.427600e+00 −1.837233e+01 −6.848823e-04 2.286147e-08 a
Pd2+ −3.221492e+05 5.425302e+00 −2.885909e+01 −3.406978e-04 1.232565e-09 a
Pd 6.619238e+03 −1.901975e+00 1.129693e+01 −5.718141e-04 1.219657e-08 a
Ag+ −8.791960e+04 2.494306e+00 −1.487763e+01 5.114261e-06 −5.635751e-10 b
Ag2+ −3.373123e+05 4.913882e+00 −2.683080e+01 9.621756e-05 −3.857636e-09 b
Ag 1.513778e+04 −2.499833e+00 1.352636e+01 −1.864851e-07 2.239051e-11 b
Cd+ −1.043706e+05 2.492493e+00 −1.347983e+01 6.696760e-06 −7.311102e-10 b
Cd2+ −3.005824e+05 4.995789e+00 −2.841579e+01 4.798662e-06 −5.945109e-10 b
In+ −6.720764e+04 2.430559e+00 −1.421171e+01 −2.867153e-04 2.412735e-08 b
In2+ −2.861252e+05 5.086195e+00 −2.879086e+01 −3.773571e-04 3.074917e-08 b
In 4.494223e+03 −2.363480e+00 1.250462e+01 2.701248e-04 −2.307383e-08 b
Sn+ −8.550616e+04 1.636183e+00 −7.583424e+00 −9.394052e-06 1.328952e-08 b
Sn2+ −2.550640e+05 4.949683e+00 −2.776817e+01 −6.474905e-04 5.382399e-08 b
Sn 1.286251e+04 −2.549000e+00 1.628734e+01 −6.778121e-04 6.572371e-08 b
Sb+ −9.999992e+04 1.861317e+00 −1.187724e+01 8.992890e-04 −6.835289e-08 b
Sb2+ −2.917412e+05 4.893050e+00 −2.849750e+01 1.207286e-04 −9.306244e-09 b
Sb 1.214207e+04 −2.590659e+00 1.497120e+01 1.213584e-04 −1.205327e-08 b
Te+ −1.048358e+05 1.636178e+00 −7.583391e+00 −9.390886e-06 1.328928e-08 b
Te2+ −3.204477e+05 4.659802e+00 −2.802328e+01 3.713875e-04 −1.538476e-08 b
Te 2.288286e+04 −2.421080e+00 1.352850e+01 −8.725159e-05 2.439641e-09 b
Cs+ −4.528316e+04 2.087691e+00 −1.234395e+01 4.185307e-04 −5.552924e-08 b
Cs2+ −3.139541e+05 4.755044e+00 −2.630289e+01 3.156288e-04 −4.718043e-08 b
Cs 5.399787e+03 −2.931135e+00 1.617382e+01 3.635188e-04 −4.840012e-09 b
Ba+ −6.051156e+04 2.230065e+00 −1.201430e+01 4.601799e-04 −6.798839e-08 b
Ba2+ −1.765336e+05 5.179498e+00 −2.960346e+01 −3.866059e-05 −4.383653e-08 b
Ba 1.750082e+03 −2.233250e+00 1.365346e+01 4.925290e-04 −7.194586e-08 b
La+ −6.451483e+04 3.326088e+00 −1.927360e+01 −4.769959e-04 1.819639e-08 b
La2+ −1.930757e+05 4.975852e+00 −2.818165e+01 −2.888187e-04 1.285448e-08 b
La 6.348587e+03 −2.654876e+00 1.605691e+01 4.380221e-04 −3.161517e-08 b
Ce+ −6.403419e+04 3.171264e+00 −1.914062e+01 −1.056822e-04 −1.019987e-08 b
Ce2+ −1.902176e+05 4.699222e+00 −2.673118e+01 −1.068922e-04 1.316049e-09 b
Ce 6.548959e+03 −2.955035e+00 1.702923e+01 −3.701637e-05 2.383397e-08 b
Pr+ −6.342175e+04 3.126189e+00 −1.798169e+01 −2.761204e-04 3.578332e-09 b
Pr2+ −1.858490e+05 5.582066e+00 −3.192867e+01 −6.136215e-04 2.352541e-08 b
Pr 1.122440e+04 −2.082943e+00 1.164134e+01 −4.125150e-04 3.774982e-08 b
Nd+ −6.403886e+04 2.975283e+00 −1.718373e+01 −7.720646e-05 −1.314762e-08 b
Nd2+ −1.885906e+05 5.217612e+00 −2.981865e+01 −1.050506e-04 −3.399976e-08 b
Nd 2.230139e+04 −2.102172e+00 1.134207e+01 −7.139634e-05 −3.701865e-08 b
Sm+ −6.547008e+04 2.282160e+00 −1.268932e+01 3.636024e-04 −3.906499e-08 b
Sm2+ −1.939742e+05 4.842841e+00 −2.753764e+01 2.379702e-04 −4.274995e-08 b
Sm 1.758414e+03 −3.749298e+00 2.321110e+01 5.770456e-05 7.703514e-09 b
Eu+ −6.581677e+04 2.345689e+00 −1.328486e+01 3.752787e-04 −4.408329e-08 b
Eu2+ −1.962769e+05 4.799913e+00 −2.727418e+01 2.795278e-04 −4.568226e-08 b
Eu 1.388057e+03 −1.804402e+00 1.017602e+01 −7.181045e-06 −5.833591e-09 b
Gd+ −7.137337e+04 2.276964e+00 −1.300354e+01 4.336840e-04 −4.546894e-08 b
Gd2+ −2.116502e+05 4.932654e+00 −2.835878e+01 2.831846e-04 −4.332661e-08 b
Gd 1.546839e+03 −2.916868e+00 1.763578e+01 3.829147e-04 −3.072644e-08 b
Tb+ −6.799838e+04 2.010817e+00 −1.204494e+01 5.350978e-04 −4.895898e-08 b
Tb2+ −2.018045e+05 4.200660e+00 −2.406078e+01 2.802467e-04 −1.396694e-08 b
Tb 1.348067e+04 −3.028296e+00 1.710919e+01 −1.334802e-04 3.541371e-08 b
Dy+ −6.879472e+04 3.014676e+00 −1.747181e+01 −1.157870e-04 −1.117657e-08 b
Dy2+ −2.043326e+05 5.041662e+00 −2.873304e+01 4.613373e-05 −4.562549e-08 b
Dy 4.084086e+03 −2.493290e+00 1.413667e+01 −2.962651e-05 7.644436e-10 b
Ho+ −6.977167e+04 2.996212e+00 −1.728031e+01 −8.020657e-05 −2.656349e-08 b
Ho2+ −2.068032e+05 5.015257e+00 −2.857871e+01 6.703620e-05 −3.148431e-08 b
Ho 3.906039e+03 −2.604632e+00 1.464065e+01 1.087372e-04 −5.276441e-09 b
Er+ −7.078944e+04 3.047784e+00 −1.739668e+01 −2.387930e-04 −1.836723e-09 b
Er2+ −2.093003e+05 5.089075e+00 −2.902460e+01 −3.946951e-06 −3.000136e-08 b
Er 3.682983e+03 −2.119010e+00 1.141914e+01 −3.518785e-04 8.140888e-09 b
Tm+ −7.184576e+04 2.426255e+00 −1.322566e+01 1.704652e-04 −2.721242e-08 b
Tm2+ −2.116323e+05 4.782511e+00 −2.715946e+01 2.813775e-04 −4.166156e-08 b
Tm 1.193280e+04 −2.565770e+00 1.251438e+01 1.095083e-04 −2.155381e-08 b
Yb+ −7.262584e+04 2.296951e+00 −1.225092e+01 1.917634e-04 −2.271257e-08 b
Yb2+ −2.138997e+05 4.833709e+00 −2.745114e+01 1.989037e-04 −2.642820e-08 b
Lu+ −6.300162e+04 2.540992e+00 −1.557599e+01 −4.279115e-04 5.199291e-08 b
Lu2+ −2.243108e+05 4.820128e+00 −2.789396e+01 −9.521387e-05 1.856125e-08 b
Lu 3.973630e+03 −2.756844e+00 1.600575e+01 2.107913e-04 −5.906525e-09 b
Hf+ −7.928592e+04 2.161891e+00 −1.229210e+01 2.526805e-04 −1.769312e-08 b
Hf2+ −2.520756e+05 5.292591e+00 −3.007134e+01 −5.024157e-04 2.303820e-08 b
Hf 2.062321e+03 −2.547061e+00 1.423421e+01 1.360278e-04 −5.484156e-09 b
Ta+ −8.744604e+04 3.158873e+00 −1.877288e+01 −1.554275e-04 −1.253218e-09 b
Ta2+ −2.755660e+05 5.339651e+00 −3.030819e+01 −6.384433e-04 2.852234e-08 b
Ta 3.847936e+03 −2.093770e+00 9.994987e+00 3.261281e-04 −4.536083e-08 b
W+ −9.150081e+04 1.776468e+00 −8.550768e+00 8.439088e-05 7.391207e-09 b
W2+ −2.813461e+05 4.382890e+00 −2.444833e+01 7.191376e-05 1.445050e-08 b
W 9.432156e+03 −2.405402e+00 1.604370e+01 −1.189007e-03 1.106563e-07 b
Re+ −9.091879e+04 2.421065e+00 −1.359550e+01 1.070258e-04 −1.897499e-08 b
Re2+ −2.835463e+05 4.945248e+00 −2.812904e+01 8.913961e-05 −1.714456e-08 b
Re 6.391571e+02 −2.938058e+00 1.718643e+01 5.689440e-04 −4.466452e-08 b
Os+ −9.790556e+04 2.578877e+00 −1.459216e+01 −9.155119e-05 2.202461e-09 b
Os2+ −2.951961e+05 5.019104e+00 −2.854965e+01 −2.882173e-05 −4.096798e-09 b
Os 1.251071e+04 −2.487400e+00 1.423524e+01 1.393521e-05 −5.261997e-09 b
Ir+ −1.040089e+05 2.669729e+00 −1.524435e+01 −7.712863e-05 2.059896e-09 b
Ir2+ −3.012993e+05 5.264280e+00 −2.997023e+01 −3.584437e-04 1.315339e-08 b
Ir 1.829105e+04 −1.568548e+00 8.278251e+00 −5.396383e-04 2.501637e-08 b
Pt+ −1.042118e+05 1.320760e+00 −7.001288e+00 5.594756e-04 −2.525852e-08 b
Pt2+ −3.194780e+05 4.332828e+00 −2.413334e+01 1.811947e-04 −1.186298e-08 b
Pt 2.455609e+04 −3.174591e+00 1.708680e+01 1.556494e-04 1.006783e-09 b
Au+ −1.070045e+05 2.707671e+00 −1.623589e+01 −1.701164e-04 1.276849e-08 b
Au2+ −3.449473e+05 5.007420e+00 −2.740510e+01 2.554497e-05 −1.286974e-08 b
Au 2.679326e+04 −2.492163e+00 1.346216e+01 2.508001e-05 −1.281389e-08 b
Hg+ −1.211222e+05 2.500164e+00 −1.352840e+01 −1.513729e-07 1.719679e-11 b
Hg2+ −3.387766e+05 4.999857e+00 −2.844015e+01 1.615884e-07 −1.969555e-11 b
Tl+ −7.085577e+04 2.594299e+00 −1.553214e+01 −4.979836e-05 −5.224852e-09 b
Tl2+ −3.079320e+05 5.042748e+00 −2.871117e+01 −1.973543e-05 −7.424893e-09 b
Tl 4.366684e+03 −2.538768e+00 1.378263e+01 5.992629e-07 1.267056e-08 b
Pb+ −8.599945e+04 2.735546e+00 −1.507083e+01 −1.299813e-04 −9.032662e-09 b
Pb2+ −2.604921e+05 5.081516e+00 −2.896644e+01 −2.033514e-05 −2.009540e-08 b
Pb 4.160111e+03 −2.388659e+00 1.490846e+01 −6.395885e-05 −1.246717e-08 b
Bi+ −8.452993e+04 2.569671e+00 −1.603952e+01 −7.216128e-05 9.600723e-09 b
Bi2+ −2.782281e+05 4.979024e+00 −2.901385e+01 3.292111e-05 −6.184604e-09 b
Bi 1.093209e+04 −2.525123e+00 1.459062e+01 3.398221e-05 −5.099485e-09 b
Th+ −7.304474e+04 2.979942e+00 −1.767323e+01 −2.152028e-05 −1.087038e-08 b
Th2+ −2.066111e+05 5.368242e+00 −2.958683e+01 −2.757084e-04 −1.065319e-09 b
U+ −7.187899e+04 2.500000e+00 −1.448287e+01 −1.221136e-11 9.189032e-16 b
U2+ −2.064914e+05 5.000000e+00 −2.880874e+01 −3.535195e-15 2.891645e-19 b

Notes.The fits are valid in the temperature range between 100 and 6000 K and are given in the FastChem format: (Stock et al. 2018). References. a: partition functions based on data from the Kurucz line lists (Kurucz & Bell 1995). b: partition functions based on data from the NIST Atomic Spectra Database (Kramida et al. 2018b). The ionization energies are taken from the Lide (2004) in both cases. c: based on thermochemical data from Gurvich et al. (1982).

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