Modeling Viscosity of Ionic Liquids with Electrolyte Perturbed-Chain Statistical Associating Fluid Theory and Free Volume Theory

Abstract

Viscosity is one of the most important physical properties when developing ionic liquids (ILs) for industrial applications such as CO 2 separation. The viscosities of ILs have been measured experimentally, while the modeling work is still limited. In this work, the electrolyte perturbedchain statistical associating fluid theory (ePC-SAFT) was combined with the free volume theory (FVT) to model the viscosities of pure ILs and IL mixtures up to high pressures and temperatures, in which the ePC-SAFT was used to calculate the density as inputs for modeling the viscosity of ILs with FVT. The ILs under consideration contain one of the IL cations [C n mim] + , [C n py] + , [C n mpy] + , [C n mpyr] + , or [THTDP] + and one of the IL anions

Effect of Composition, Temperature, and Pressure on the Viscosities and Densities of Three Diesel Fuels

“…There are also several methods for modeling the viscosity of complex mixtures, including expanded fluid theory [31][32][33][34] , friction theory [35][36][37][38][39] , free volume theory (FVT) 40,41 , hard sphere models [42][43][44] , residual entropy scaling 45,46 , Eyring's absolute rate theory 47,48 , and GC methods [49][50][51][52] .…”

“…There are also several methods for modeling the viscosity of complex mixtures, including expanded fluid theory, − friction theory, − free volume theory (FVT), , hard-sphere models, − residual entropy scaling, , Eyring’s absolute rate theory, , and GC methods. − However, only a few modeling approaches allow for diesel viscosity predictions based on composition. Aquing et al modeled the viscosity of two diesel fuels using the GC methods of van Velzen et al and Sastri and Rao .…”

Prediction of Infinite Dilution Molar Conductivity for Unconventional Ions: A Quantitative Structure–Property Relationship Study

“…At this point, the paramount transfer properties are the infinite dilution molar conductivity of ILs Λ m ∞ as well as ions λ B ∞ . First of all, in the infinite dilution state, the viscosity of the solution is that of the solvent, and the molar conductivity at different concentrations can be estimated using the Walden rule and related viscosity models. − Second, the infinite dilution diffusion coefficients of ions D B ∞ can be calculated by using λ B ∞ , and then D ∞ of ILs can be further obtained. Based on D ∞ , the diffusion coefficients of ILs at different concentrations can be calculated according to the Nernst equation.…”

Entropy-scaling based pseudo-component viscosity and thermal conductivity models for hydrocarbon mixtures and fuels containing iso-alkanes and two-ring saturates

“…Various viscosity [1,11,12] and thermal conductivity [2,13,14] models have been proposed for fuels in the literature. These models range from empirical [15][16][17][18][19][20][21][22] to mixture [23] and pseudo-component models [1,2,13,14,[24][25][26][27][28][29][30][31][32][33][34][35], such as expanded fluid theory (EFT) [13,14,[25][26][27][28], friction theory (FT) [29][30][31][32][33], and free volume theory (FVT) [34,35].…”