Herein,
and
are the experimental and calculated values of ILs, respectively.n is the total number of data points.
2.5 Model Application
The stable QSPR model could be used to predict the physical and chemical
values of ILs. Based on the ILs studied in this work, 18630 ILs were
obtained by combining 207 anions and 90 cations (Supporting Information
Table S4). 16329 ILs with optimization structures are used to predict
the parameters (α , β , γ and χ ) of thef-T-P model by using the three QSPR models for density, viscosity
and thermal conductivity. Based on the experimental values range of
density, viscosity and thermal conductivity, we assume that the
reasonable range of predicted values is 50 % of the minimum
experimental value and 150 % of the maximum experimental value. The
coefficients (α , β , γ and χ ) of density,
viscosity and thermal conductivity were predicted and provided in
Supporting Information Tables S5-S7.