Table 5.

Decomposition of the total interfacial potential into components arising from the total dipole moment of water (ΔΦ_M(H₂O)), water quadrupole moment (ΔΦ_Q(H₂O)), and ion monopoles (ΔΦ_q(H₂O)). The total interfacial potentials calculated from the sum of the contributions (ΔΦ_total) and from Eq. 8 are both presented. All values are in units of kcal∕mol.

Salt model	ΔΦM(H2O)	ΔΦQ(H2O)	ΔΦq(M+A−)	ΔΦtotal	ΔΦ (Eq. 8)
TIP4P-QDP	13.51	−25.58		−12.07	−12.01(4)
NaCl	−42.76	−24.95	56.48	−11.23	−11.17(12)
NaBr	−42.71	−24.56	56.09	−11.18	−11.14(8)
NaI	−46.16	−24.25	59.36	−11.05	−11.02(13)