Ionic liquids as modulators of fragrance release in consumer goods

Abstract

The vapour–liquid equilibria of organic molecules dissolved in ionic liquids revealed positive deviation from Raoult's law, especially with added water.

Modeling the Vapor–Liquid Equilibria of Ionic Liquids Containing Perfume Raw Materials

“…As discussed in the introduction, ionic liquids have been introduced for application in consumer goods. 6 To cope with the milliard of potential novel systems, a strategy has been developed to investigate as many formulations as possible, depending on the structure of the ionic liquid and on the components involved. Hydrogen bonds play an important rôle in modifying the VLE of the system.…”

“…pi nene As previously reported, positive or negative deviations from ideality are controlled by the specific interactions between the solutes and the solvent. [6][7] As ionic liquids have negligible vapour pressure at room temperature, they have no partial vapour pressure (i.e. IL 0 = 0 in Equation 2).…”

“…As previously reported, positive or negative deviations from ideality are controlled by the specific interactions between the solutes and the solvent. 6,7 As ionic liquids have negligible vapor pressure at room temperature, they have no partial vapor pressure (i.e., p IL 0 = 0 in eq 2). The cations and anions were selected to provide insight into the driving forces of the interactions between anion, cation, and PRMs with different functionalities.…”

“…[4][5] A similar approach has been applied for studying LLE, and a wide variety of cases have been studied. [6][7] As thousands of potential perfume raw materials are known, 8 it is infeasible to study experimentally even a fraction of these in the necessary detail that is required to determine their VLE and LLE properties. In order to garner the necessary information to enable an informed decision to be made for the selection of PRMs for a specific task, it is desirable to develop a computational screening process.…”

“…Thus, for example, a solute capable of forming strong hydrogen bonds with the anion of the ionic liquid will exhibit strong negative deviation from Raoult's law. 6,11 For a given PRM dissolved in an ionic liquid, its vapour-liquid equilibria are a function of at least three general variables: the structure of the cation, the structure of the anion, and the structure of the perfume raw material itself, in addition to the specific variables of temperature, pressure and concentration. It is well established that there are over one million simple ionic liquids accessible, 14 and so, in combination with thousands of PRMs, there are over one milliard (10 9 ) possible simple combinations.…”