New ExperimentalDensity Data and Soft-SAFT Modelsof Alkylimidazolium ([CnC1im]+) Chloride (Cl–), Methylsulfate ([MeSO4]−), and Dimethylphosphate ([Me2PO4]−) Based Ionic Liquids.

Ionicliquids have been shown to have application in several areasof importance in the context of sustainable industrial activity. Oneapplication of particular interest is the ability of certain ionicliquids to dissolve biomass. This clearly marks them as useful materialswith application within biorefineries. In this contribution, we presentnew coarse-grained soft-SAFT models and experimental density dataof chloride (Cl–), methylsulfate ([MeSO4]−), and dimethylphosphate ([Me2PO4]−) based ionic liquids which are relevantfor biomass deconstruction processes. Model parameters were obtainedby fitting to pure component temperature density data, and the modelswere subsequently tested by assessing their ability to accuratelycalculate viscosity and interfacial surface tension. We also developedmodels of mixtures of the ionic liquids with water and short-chainlinear alcohols. We decomposed the contributions to the excess Gibbsenergy of mixing to chemical and structural contributions, and usedthis to provide some insight into the driving forces for solubilityof molecular species in these ionic liquids. [ABSTRACT FROM AUTHOR]