Calculations on ionic solvation—V The calculation of partition coefficients of ions

Prediction of the Standard Gibbs Energy of Ion Transfer across the 1,2-Dichloroethane/Water Interface

“…very well, and then some attempts have been made to improve the model by considering the dielectric saturation (i.e., the lowering of the permittivity of solvents adjacent to an ion due to the high electric field). [4][5][6] In one of the most frequently cited modifications (the AbrahamLiszi model 4 ), it is assumed that a local solvent layer around an ion has a very low dielectric constant, i.e., ! = 2 (cf.…”

“…have been performed mainly based on Born-type electrostatic solvation models. [3][4][5][6] In the classical Born model, 3 the ion-transfer energy is considered as a difference between electrostatic energies for charging a spherical ion up to ze (z is the charge number including the sign; e is the elementary charge) in O and W.…”

Pb(II) Extraction with Benzo-18-Crown-6 Ether into Benzene under the Co-Presence of Cd(II) Nitrate in Water

“…Here, the log K Pb/PbL ·K 1,Bz term was in the range of 8.7 to 9.1 (see the data in Table 2) and log K D,Pic S (=−8.208 [24] or −7.4473 [25]) equals log K D,Pic at ∆ϕ eq = 0 V. Hence, we obtained to be −7.7 to −7.3 for the former K D,Pic S value or the −6.2 to −5.8 for the latter one as the term of 2log K D,Pic S + log K Pb/PbL ·K 1,Bz (see Tables 1 and 2). In addition, 2F/2.303RT becomes 33.80 V −1 at T = 298.15 K. Rearranging Equation (11), we can immediately derive…”

“…Here, the K D,Pic S value is defined as the K D,Pic one at ∆ϕ eq = 0 V, equals antilog (∆ϕ Pic 0 /0.05916) (=exp (∆ϕ Pic 0 /0.02569) [23]), and, as its common logarithmic value, −8.208 or −7.4473 is available from references [24,25]. In addition, the minus sign of −0.05916 (=−2.303RT/F ) and the symbol ∆ϕ Pic 0 denote the formal charge of Pic − and the standard formal potential for the Pic − transfer across the water/Bz interface, respectively.…”

Chemical speciation of L-glutamine complexes with Co(II), Ni(II) and Cu(II) in cationic micellar medium

“…Many workers were of the opinion that both electrostatic and non-electrostatic effects should be considered even in the case of simple acido-basic equilibria; one dominates the other, depending upon the nature of solute and solvent [32][33][34]. Born's classical treatment [35] holds good in accounting for the electrostatic contribution to the free energy change.…”