Table 2 The ion pairing in the first solvation shells of the carbon species in the 0.9 m Na2CO3 solutions.

The concentrations are shown as mole percents of the total dissolved carbon.

P (GPa)T (K)MethodIon pairing species (%)
Embedded ImageEmbedded ImageEmbedded ImageEmbedded Image
0.2823PBE3.713.059.77.5
PBE08.418.240.818.2
111000PBE18.15.928.97.5
PBE022.410.020.412.5