Impact of extended long-range electrostatics on the correlation of liquid-liquid equilibria in aqueous ionic liquid systems
نویسندگان
چکیده
Recently an improved long-range model for electrolyte solutions was developed that is applicable from infinite dilution to pure salt. This paper tests this claim the first time applying it calculation of liquid-liquid equilibria mixtures different ionic liquids (ILs) and water. The conventional Pitzer-Debye-Hückel (PDH) equation compared two its new, thermodynamically consistent extensions. Both development stages, extended PDH term modified-extended PDH, account concentration dependent mixture properties instead using solvent properties. latter one additionally introduces a modified parameter closest approach which improves overall performance high concentrations in systems with variable or low permittivities. To short-range interactions, these models are coupled UNIversal QUAsi-Chemical (UNIQUAC) model. Three modeling strategies were tested contribution. First, UNIQUAC parameters adjusted each system individually, then binary interaction same type all lastly linear function carbon number used where possible. For tested, predictive increased E-PDH ME-PDH. Overall, introduction modification added ME-PDH enhanced when describing systems, showing general applicability novel term.
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ژورنال
عنوان ژورنال: Fluid Phase Equilibria
سال: 2023
ISSN: ['0378-3812', '1879-0224']
DOI: https://doi.org/10.1016/j.fluid.2023.113765