Pascual Pérez

Green solvents from glycerol. Synthesis and physico-chemical properties of alkyl glycerol ethers

A family of glycerol derivatives, consisting of over sixty 1,3-dialkoxy-2-propanols and 1,2,3-trialkoxypropanes, both symmetrically and unsymmetrically substituted at terminal positions, have been synthesized and the possible role of these glycerol derivatives as substitutive solvents has been evaluated through measurements of their physico-chemical properties. The molecular diversity of the derivatives prepared results in significant variations of polarity properties, facilitating the identification of possible candidates for solvent substitution.

Vapour pressures of (butan-1-ol + hexane) at temperatures between 283.10 K and 323.12 K

Vapour pressures by a static method of n -hexane, n -butan-1-ol, and ( n -butan-1-ol + n -hexane) at temperatures between 283.10 K and 323.12 K at about 5 K intervals, were measured. Activity coefficients and excess molar Gibbs free energies G E m were calculated by Barkers method. Three different types of equations for G E m were used for fitting the experimental results. For alcohol-dilute mixtures, formation of an azeotropic mixture with a minimum boiling temperature was observed.

Densities and viscosities of binary mixtures of butanone with butanol isomers at several temperatures

Densities and viscosities of 1-chlorobutane + 1-butanol, + 2-methyl-1-propanol, + 2-butanol, or + 2-methyl-2-propanol were measured at several temperatures between 288.15 K and 318.15 K. At each temperature, the experimental viscosity data were correlated by means of the McAllister biparametric equation. By using our previous thermodynamic measurements (VLE, HE), we have tested the Wei and Rowley nonparametric model at T = 298.15 K, obtaining average absolute deviations that are comparable to those calculated for the biparametric model.

Vapour pressures at several temperatures between 288.15 K and 323.15 K of di-n-propylether with 1-hexanol or 1-octanol. Application of the ERAS model

Abstract Vapour pressures of di- n -propylether+1-hexanol or +1-octanol were measured at several temperatures between 288.15 K and 323.15 K by a static method. Reduction of the vapour pressures to obtain activity coefficients and excess molar Gibbs free energies was carried out by Barkers method. G E , H E , and V E , at 298.15 K, are compared with predictions of the ERAS-model observing that the model reproduces acceptably the experimental behaviour.

Excess Gibbs free energies at seven temperatures and excess enthalpies and volumes at 298.15 K of butanone with 1-propanol or 2-propanol

Abstract Vapour pressures of butanone + 1-propanol or + 2-propanol at seven temperatures between 278.15 and 323.15 K were measured by a static method. Excess molar enthalpies and volumes were also measured at 298.15 K. Following Barkers method, the activity coefficients and the excess molar Gibbs free energies were fitted to the Wilson correlation. Mixtures containing 2-propanol show azeotropy with a minimum boiling temperature. The thermodynamic excess functions are discussed with respect to the molecular interactions and compared with those for binary mixtures containing the same alcohols with other solvents.

Excess Gibbs free energies at several temperatures and excess enthalpies and volumes at 298.15 K of butanenitrile with 2-methyl-1-propanol or 2-methyl-2-propanol

Abstract Vapour pressures of butanenitrile +2-methyl-1-propanol or +2-methyl-2-propanol at several temperatures between 278.15 and 323.15 K were measured by a static method. Excess molar enthalpies and volumes were also measured at T = 298.15 K. Reduction of the vapour pressures to obtain activity coefficients and excess molar Gibbs free energies was carried out by fitting the vapour pressure data to the Redlich-Kister correlation according to Barkers method. Azeotropic mixtures with a minimum boiling temperature were observed over the whole temperature range, except for 2-methyl-2-propanol at T = 323.15 K.

Isothermal vapour-liquid equilibrium at eight temperatures and excess functions at 298.15 K of di-n-propylether with 1-propanol or 2-propanol

Vapour pressures of di-n-propylether + 1-propanol or + 2-propanol at eight temperatures between 278.15 and 323.15 K were measured by a static method. Excess molar enthalpies and volumes were also measured at 298.15 K. Following Barkers method, the activity coefficients and the excess molar Gibbs free energies were fitted to the Wilson equation. Azeotropic mixtures with a minimum boiling temperature were observed over the whole temperature range.

Quantitative structure–property relationships prediction of some physico-chemical properties of glycerol based solvents

Quantitative structure–properties relationships (QSPR) models have been developed for three characteristic properties of a series of 62 new glycerol derivatives, relevant to solvent classification and substitution uses. Using structural descriptor variables, three equations have been found using multiple linear regression analysis, which can be applied for in silico prediction of physico-chemical properties, allowing a faster selection of target solvents for a given application.

Isothermal vapour–liquid equilibrium at several temperatures and excess functions at 298.15 K of butanone with 2-methyl-1-propanol or 2-methyl-2-propanol

Abstract Vapour pressures of butanone+2-methyl-1-propanol or +2-methyl-2-propanol at several temperatures between 278.15 and 323.15 K were measured by a static method. Excess molar enthalpies and volumes for 2-methyl-1-propanol were also measured at 298.15 K. Reduction of the vapour pressures to obtain activity coefficients and excess molar Gibbs free energies was carried out by fitting the vapour pressure data to the Redlich–Kister correlation according to Barkers method. It is made as a comparison of the thermodynamic properties of mixtures of alcohols in butanone and n-hexane, and the results are qualitatively discussed.

Vapour pressures of butan-1-ol with n-hexadecane between 293.18 and 323.18 K. Description of butan-1-ol + n-alkane systems by ERAS model

Abstract Banos I., Sanchez F., Perez P., Valero J. and Gracia M., 1992. Vapour pressures of butan-1-ol with n -hexadecane between 293.18 and 323.18 K. Description of butan-1-ol+ n -alkane systems by ERAS model. Fluid Phase Equilibria , 81: 165-174. Vapour pressures of butan-1-ol with n -hexadecane between 293.18 and 323.18 K were measured at about 5 K intervals by a static method. Activity coefficients were obtained by the Barker method, and molar excess Gibbs energies were fitted to a Pade 3/1. Experimental molar excess Gibbs energies, at 298.15 and 318.15 K, and molar excess volumes, at 298.15 K, of butan-1-ol + n -hexane, + n -octane, and + n -hexadecane are compared with predictions of an extended real associated solution (ERAS) model. The model reproduces acceptably the experimental curves of V E and gives a good description of the experimental results of G E at 298.15 K.