Table 1 Solvent parameters for use in the SMD implicit solvent model.
From: Quantum chemical calculations of lithium-ion battery electrolyte and interphase species
Parameter | Meaning | Value |
|---|---|---|
ε | Dielectric constant | 18.5 |
n | Refractive index | 1.415 |
\(\sum {a}_{2}^{H}\) | Abraham’s hydrogen-bond acidity | 0.0 |
\(\sum {\beta }_{2}^{H}\) | Abraham’s hydrogen-bond basicity | 0.735 |
γ | Relative surface tension | 20.2 |
ϕ | Carbon aromaticity | 0.0 |
ψ | Electronegative halogenicity | 0.0 |
