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Methylbenzoate/n-hexane mixed solvents are studied as a function of pressure and temperature in the whole composition range. A reliable description of the fluid structure is provided and it can be used to predict aromatic ester containing mixture properties.

The theoretical and experimental studies of the aromatic ester solvents family are presented. The molecular dynamics simulations have provided theoretical values of thermophysical properties and valuable molecular level structural information.

An empirical and theoretical analysis of the structure and properties of 1, 8-cineole, the principal ingredients of essential oils in various plants, is described to study of the pressure-volume-temperature behavior of the fluid over a range of temperature and pressure. A complex fluid structure is proposed on the basis of the macroscopic and microscopic analysis.

The strongly nonideal behavior of the N-methylpyrrolidone (NMP) + methanol binary solvent was studied over the wide ranges of pressure and temperature. From the measured and derived excess properties, strong H-bonding is correlated with several cubic EOS, yielding inaccurate results with the most common equation of state (EOS) and very good data fitting with the Sako-Wu-Prausnitz equation.

The solvatochromic indicators 4-nitroanisole, 4-nitroaniline, 4-nitrophenol, and Reichard's dye are used to analyze the 2-pyrrolidinone (PYR)/water, N-methylpyrrolidinone (NMP)/water, and PYR/NMP binary solvents. A preferential solvation model was applied to analyse the solvation effect of the indicator by the different solvents used.