Solvation model for estimating the properties of (vapour+liquid) equilibrium

Estimation of liquid‐liquid equilibrium of type 2 systems (water + valeric acid + monobasic ester or dibasic ester or alcohol) using SERLAS, SERLAS‐modified, and SERLAS‐integrated

“…At the same time the use of nine molecular descriptors of compounds very different in structure guarantees a large range of applicability of SERLAS‐i to more complex systems and allows for an improved calculative description of the real behaviour of various kinds of mixtures including a ionic liquid, with particular focus on phase behaviour of quaternary LLE systems . By combining Senol's VLE model SERAS (solvation energy relation for associated systems) with SERLAS‐i along with appropriately rearranging the limiting conditions, we will be able to simulate accurately the phase behaviour of complex VLE and VLLE systems . as well.…”

Extension of the new proposed association equation of state (AEOS) to associating fluid mixtures

“…Modeling of thermodynamic properties and phase equilibrium of a mixture involving associating components such as alcohols is still challenging because such systems show extremely non-ideal behaviour [1]. Strong attractive (chemical) interactions of pure associating fluids and their mixtures make their thermodynamic properties different from non-associating solutions [2].…”