Data

Based on the critical analysis of nearly 250 literature sources spanning about 100 years of research, the book provides recommended data concerning the standard thermodynamic properties water, of the alkali and halide ions, and of the proton. In the context of single-ion solvation parameters, this data is restricted to hydration properties in the infinitely-dilute regime and under standard conditions of pressure and temperature, also including closely related properties such as the air-liquid interfacial potential of water or the absolute potential of the reference hydrogen electrode in this solvent. This recommended data set is essentially non-redundant, i.e. only a minimal collection of thermodynamic parameters is provided (possible exceptions are indicated explicitly). It is also consistent with a well-defined standard-state convention, referred to in the book as the bbme_T convention. This convention involves:

P^o=1 bar reference pressure for solids and liquids (b)
P^o=1 bar reference pressure for gases (b)
b^o=1 molal reference concentration for solutes (m)
T^-=298.15 K reference temperature
Warm-electron convention for the standard-state ideal electron gas (e_T)
Fermi-Dirac statistics applied for the ideal electron and proton gases
Choice of a standard or density-corrected solute standard-state variant must be specified
Choice of a reference electric potential for the ideal electron gas in the definition of absolute electrode potentials must be specified
Choice of a specific anchoring point for the conventional scale of single-ion solvation parameters must be specified

To make this recommended data readily available to the community, simplified versions of seven tables of the book (Tables 1.1 and 5.21-5.26) are provided on this site. They can be accessed via the sub-tabs of the "Data" menu at the left of this page. Detailed information is provided in the book concerning:

The physical significance and precise definition of the reported quantities
Their determination methods (experiment or/and theory)
The individual data sets of all the literature sources considered
The derivation procedure for the recommended data set (and estimated error)
The standard-state definitions (bbme_T, alternatives, interconversion formulae)
The connection between this non-redundant set and important derived quantities

Three other particularly valuable tables of the book, which are not provided on-line, are:

Tables 3.3 and 3.4: List of ion-solvent van der Waals (Lennard-Jones) interaction parameters of the alkali and halide ions, for 20 parameter sets (atomistic force fields) available in the literature at the date of publication (these parameter sets are also discussed in the supplementary material of Reif & Hünenberger, J. Chem. Phys., 134, 144104, 2011)
Table 5.4: list of 63 sets of effective ionic radii of the alkali and halide ions available in the literature at the date of publication