Modeling of RTIL Properties

Here only some examples of the modeling of the properties of RTILs are described. Further models are dealt with in the following sections, pertaining to the properties 

A quantitative measure of the iconicity of RTILs is the effective concentration of ions according to Ueno et al. [37]  

The estimation of the melting points of RTILs (in conjunction with the permittivities of the melts) was reported by Krossing et al. [38] as an answer to the question why are ionic liquids liquid . The melting point is that temperature, where for an RTBL  

The Gibbs energy at any temperature may be calculated from the Bom-Fajans-Haber cycle as the sum of the lattice and the (negative) solvation Gibbs energies AG(T) = Au G(T) + AsoivG(r). 

The lattice Gibbs energy, in turn, is AiattG(T ) = U T) + 2RT — TA uS T), where the lattice potential energy Upot(T) is transformed to the enthalpy by addition of 2RT (for the common uni-imivalent RTILs). The lattice potential energy is obtained from the volume-based thermodynamics expression of Jenkins et al. [39]  

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