Infinite dilution activity coefficients in mono-, di-, and tripalmitin and palmitic acid

Infinite dilution activity coefficients of several organic solutes in mono-, di-, and tripalmitin and in palmitic acid were measured by gas chromatography, at temperatures between 353 K and 373 K. The solutes include hydrocarbons, chlorinated hydrocarbons, and alcohols. The UNIFAC group contribution model and Flory's combinatorial model, with the addition of a regular solution residual term, were used to correlate the experimental data.Fil: Foco, Gloria Margarita. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; ArgentinaFil: Bermudez, A.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; ArgentinaFil: Bottini, Susana Beatriz. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; Argentin

Vapor-liquid equilibria of the binary system 1-pentanol + anisole and the quaternary system benzene + cyclohexane + 1-pentanol + anisole at 101.32 kPa

Vapor-liquid equilibrium (VLE) at 101.32 kPa has been measured for the quaternary system benzene + cyclohexane + 1-pentanol + anisole in an isobaric equilibrium still with secondary recirculation of vapor and liquid phases covering a wide range of concentration. Accurate prediction of activity coefficients and the equilibrium compositions with the UNIFAC group contribution model were obtained with low standard deviations of vapor mole fraction and equilibrium temperatures. The consistency of the measured VLE data were tested with the McDermott and Ellis method.Fil: Orge, Beatriz. Universidad de Vigo; EspañaFil: Foco, Gloria Margarita. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; ArgentinaFil: Brignole, Esteban Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; Argentin

Revision and extension of the group contribution equation of state to new solvent groups and higher molecular weight alkanes

The group contribution equation of state GC-EOS model is revised and extended. Pure group and binary interaction parameters are reported for the following new groups: ether CH2O, ester CH2COO/CH3COO, chloro-aromatic ACCl and triglyceride (TG) (CH2COO)2CHCOO.Interaction parameters between these groups and paraffin, olefin and CO2 groups were estimated using experimental vapor-liquid equilibrium data on binary mixtures. The original aromatic-paraffinic, CO2-paraffinic and CO2-aromatic interaction parameters, have been revised in order to improve phase equilibrium predictions in aromatic and high molecular weight organic compounds.Fil: Espinosa, Susana Noemi. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; ArgentinaFil: Foco, Gloria Margarita. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; ArgentinaFil: Bermúdez, A.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; ArgentinaFil: Fornari, T.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; Argentin

Application of a group contribution equation of state for the thermodynamic modeling of the binary systems CO2–1-butyl-3-methyl imidazolium nitrate and CO2–1-hydroxy-1-propyl-3-methyl imidazolium nitrate

It is known that the properties of ionic liquids (ILs) can be tuned by appropriate selection of cations and anions. Even when an infinite number of ionic liquids can be generated, only a limited number of families of anions and cations are used. The group contribution equation of state (GC-EoS) is a promising method for calculating the phase behavior of the ILs. If the parameters of the characteristic functional group of a family are fitted by using data of a reduced number of ILs of the family, the phase behavior of all the ILs of the same family can be predicted using exclusively the data of the pure component. Previously, the parameters of the IL families with an imidazolium-based cation and the anions PF6, BF4 and Tf2N have been fitted to experimental data. In this work, the GC-EoS has been used to calculate the CO2–IL phase behavior of two ionic liquids with an imidazolium-based cation and a nitrate anion: 1-butyl-3-methyl imidazolium nitrate (BMImNO3) and 1-hydroxy-1-propyl-3-methyl imidazolium nitrate (HOPMImNO3). To fit the parameters of the functional group 3-methyl imidazolium nitrate (MImNO3), experimental activity coefficients at infinite dilution (∞) of the BMImNO3 with alkanes and alcohols are used together with the experimental data. The average error of the calculated bubble points is 2.6% in pressure for the system CO2–BMImNO3 and 6.7% for the system CO2–HOPMImNO3. The activity coefficients at infinite dilution (∞) are predicted with an average deviation of 6.9%.Fil: Bermejo, María Dolores. Delft University of Technology; Países Bajos. Universidad de Valladolid; EspañaFil: Martín, A.. Delft University of Technology; Países Bajos. Universidad de Valladolid; EspañaFil: Foco, Gloria Margarita. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; ArgentinaFil: Cocero, María José. Universidad de Valladolid; EspañaFil: Bottini, Susana Beatriz. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; ArgentinaFil: Peters, Cor J.. Delft University of Technology; Países Bajos. The Petroleum Institute; Emiratos Arabes Unido