The Experts below are selected from a list of 225 Experts worldwide ranked by ideXlab platform
Josefa Fernández - One of the best experts on this subject based on the ideXlab platform.
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Prediction of the pressure dependence on the thermodynamic properties of Dialkyl Carbonate + alkane mixtures using Nitta–Chao model
Fluid Phase Equilibria, 2004Co-Authors: Luis Lugo, V Luna, Josefa García, Enriqueta R. López, María J. P. Comuñas, Josefa FernándezAbstract:In this work we analyze the ability of the Nitta-Chao model for the prediction of the pressure dependence of different thermodynamic properties, such as density, isobaric thermal expansivity coefficient, isothermal compressibility coefficient and internal pressure of the pure components (dimethyl Carbonate and diethyl Carbonate). We also study phase equilibria, pVTx values and their derived coefficients, internal pressures, excess molar volumes, excess molar enthalpies and excess Gibbs energies of Dialkyl Carbonate + n-alkane binary mixtures. For this purpose we have used the characteristic parameters calculated in a previous paper for Dialkyl Carbonate + n-alkane systems with a database which contained thermodynamic properties values at atmospheric pressure or near to the atmospheric pressure. The Nitta-Chao model predicts the different thermodynamic properties fairly well in the ranges of temperature 278.15 K < T < 353.15 K and of pressure 0.1 MPa < p < 60 MPa. It is important to point out that both ranges are much broader than those of the experimental values of the thermodynamic properties database used to determine the parameters.
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phase equilibria and pvt predictions for alkyl Carbonate n alkane systems using equations of state
Fluid Phase Equilibria, 2003Co-Authors: Luis Lugo, Josefa García, María J. P. Comuñas, Josefa FernándezAbstract:Abstract In this paper experimental data available in the literature on vapor–liquid equilibria, densities and excess molar volumes of Dialkyl Carbonate+ n -alkane mixtures on broad temperature and pressure ranges have been used in order to test four equations of state (EoS): Soave–Redlich–Kwong (SRK), Peng–Robinson (PR), Patel–Teja (PT) and Dohrn–Prausnitz (DP). For the pure components, when the critical parameters were not available in the literature, the group contribution method of Klincewicz and Reid was used to estimate the critical temperature and pressure. For Dialkyl Carbonate+ n -alkane mixtures we have determined the binary interaction parameter, k ij , using experimental vapor–liquid equilibria data and then with these parameters the pVTx values were predicted. The best correlations for VLE and predictions for the volumetric behavior were obtained with PR and PT equations.
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Phase equilibria and pVT predictions for alkyl Carbonate + n-alkane systems using equations of state
Fluid Phase Equilibria, 2003Co-Authors: Luis Lugo, Josefa García, María J. P. Comuñas, Josefa FernándezAbstract:Abstract In this paper experimental data available in the literature on vapor–liquid equilibria, densities and excess molar volumes of Dialkyl Carbonate+ n -alkane mixtures on broad temperature and pressure ranges have been used in order to test four equations of state (EoS): Soave–Redlich–Kwong (SRK), Peng–Robinson (PR), Patel–Teja (PT) and Dohrn–Prausnitz (DP). For the pure components, when the critical parameters were not available in the literature, the group contribution method of Klincewicz and Reid was used to estimate the critical temperature and pressure. For Dialkyl Carbonate+ n -alkane mixtures we have determined the binary interaction parameter, k ij , using experimental vapor–liquid equilibria data and then with these parameters the pVTx values were predicted. The best correlations for VLE and predictions for the volumetric behavior were obtained with PR and PT equations.
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Sako–Wu–Prausnitz equation of state for modelling phase equilibria and high-pressures PVT of mixtures containing Dialkyl Carbonate and alkane
Fluid Phase Equilibria, 2003Co-Authors: Josefa García, Luis Lugo, Manuel M. Piñeiro, Josefa FernándezAbstract:Abstract The group contribution approach of Elvassore et al. [Ind. Eng. Chem. Res. 38 (1999) 2110] has been used in combination with the cubic EoS of Sako–Wu–Prausnitz (SWP) to determine the three characteristic parameters of this EoS for the Carbonate group, with the aim to describe the thermodynamic behaviour of Carbonate type compounds. For this purpose a database containing compressed and saturated liquid densities of dimethyl Carbonate and diethyl Carbonate was used. Two options were considered in order to choose the contributing functional groups in Carbonate molecules. First these molecules were considered as formed by methyl, methylene and Carbonate groups, defined as CH3, CH2 and OCOO, respectively, but the results obtained were not satisfactory. Then in a second step, the Carbonate compounds were considered formed by CH3, CH2, CH3α, CH2α and OCOO groups, taking into account the proximity effect of the oxygen atom over the neighbouring methyl and methylene groups. This last option presented deviations much lower than the first one. From the parameters calculated in this work for CH3α, CH2α and OCOO, and those determined by Elvassore et al. for CH3 and CH2 groups the vapour–liquid equilibria and PVTx values for Dialkyl Carbonate+n-alkane systems have been calculated and compared with the available experimental literature data.
Suman L. Jain - One of the best experts on this subject based on the ideXlab platform.
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Non-Symmetrical Dialkyl Carbonate Synthesis Promoted by 1-(3-Trimethoxysilylpropyl)-3-methylimidazolium Chloride.
ChemInform, 2014Co-Authors: Subodh Kumar, Suman L. JainAbstract:A simple, efficient and environmentally benign approach for the synthesis of non-symmetrical Dialkyl Carbonates (III) (18 examples) via ionic liquid promoted transesterification of dimethyl Carbonate is developed.
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Non-symmetrical Dialkyl Carbonate synthesis promoted by 1-(3-trimethoxysilylpropyl)-3-methylimidazolium chloride
New Journal of Chemistry, 2013Co-Authors: Subodh Kumar, Suman L. JainAbstract:An efficient synthesis of non-symmetrical Dialkyl Carbonates promoted by 1-(3-trimethoxysilylpropyl)-3-methylimidazolium chloride ionic liquid as a reaction medium is described. The ionic liquid can easily be recovered and reused several times without significant change in the activity and selectivity.
Luis Lugo - One of the best experts on this subject based on the ideXlab platform.
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Prediction of the pressure dependence on the thermodynamic properties of Dialkyl Carbonate + alkane mixtures using Nitta–Chao model
Fluid Phase Equilibria, 2004Co-Authors: Luis Lugo, V Luna, Josefa García, Enriqueta R. López, María J. P. Comuñas, Josefa FernándezAbstract:In this work we analyze the ability of the Nitta-Chao model for the prediction of the pressure dependence of different thermodynamic properties, such as density, isobaric thermal expansivity coefficient, isothermal compressibility coefficient and internal pressure of the pure components (dimethyl Carbonate and diethyl Carbonate). We also study phase equilibria, pVTx values and their derived coefficients, internal pressures, excess molar volumes, excess molar enthalpies and excess Gibbs energies of Dialkyl Carbonate + n-alkane binary mixtures. For this purpose we have used the characteristic parameters calculated in a previous paper for Dialkyl Carbonate + n-alkane systems with a database which contained thermodynamic properties values at atmospheric pressure or near to the atmospheric pressure. The Nitta-Chao model predicts the different thermodynamic properties fairly well in the ranges of temperature 278.15 K < T < 353.15 K and of pressure 0.1 MPa < p < 60 MPa. It is important to point out that both ranges are much broader than those of the experimental values of the thermodynamic properties database used to determine the parameters.
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phase equilibria and pvt predictions for alkyl Carbonate n alkane systems using equations of state
Fluid Phase Equilibria, 2003Co-Authors: Luis Lugo, Josefa García, María J. P. Comuñas, Josefa FernándezAbstract:Abstract In this paper experimental data available in the literature on vapor–liquid equilibria, densities and excess molar volumes of Dialkyl Carbonate+ n -alkane mixtures on broad temperature and pressure ranges have been used in order to test four equations of state (EoS): Soave–Redlich–Kwong (SRK), Peng–Robinson (PR), Patel–Teja (PT) and Dohrn–Prausnitz (DP). For the pure components, when the critical parameters were not available in the literature, the group contribution method of Klincewicz and Reid was used to estimate the critical temperature and pressure. For Dialkyl Carbonate+ n -alkane mixtures we have determined the binary interaction parameter, k ij , using experimental vapor–liquid equilibria data and then with these parameters the pVTx values were predicted. The best correlations for VLE and predictions for the volumetric behavior were obtained with PR and PT equations.
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Phase equilibria and pVT predictions for alkyl Carbonate + n-alkane systems using equations of state
Fluid Phase Equilibria, 2003Co-Authors: Luis Lugo, Josefa García, María J. P. Comuñas, Josefa FernándezAbstract:Abstract In this paper experimental data available in the literature on vapor–liquid equilibria, densities and excess molar volumes of Dialkyl Carbonate+ n -alkane mixtures on broad temperature and pressure ranges have been used in order to test four equations of state (EoS): Soave–Redlich–Kwong (SRK), Peng–Robinson (PR), Patel–Teja (PT) and Dohrn–Prausnitz (DP). For the pure components, when the critical parameters were not available in the literature, the group contribution method of Klincewicz and Reid was used to estimate the critical temperature and pressure. For Dialkyl Carbonate+ n -alkane mixtures we have determined the binary interaction parameter, k ij , using experimental vapor–liquid equilibria data and then with these parameters the pVTx values were predicted. The best correlations for VLE and predictions for the volumetric behavior were obtained with PR and PT equations.
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Sako–Wu–Prausnitz equation of state for modelling phase equilibria and high-pressures PVT of mixtures containing Dialkyl Carbonate and alkane
Fluid Phase Equilibria, 2003Co-Authors: Josefa García, Luis Lugo, Manuel M. Piñeiro, Josefa FernándezAbstract:Abstract The group contribution approach of Elvassore et al. [Ind. Eng. Chem. Res. 38 (1999) 2110] has been used in combination with the cubic EoS of Sako–Wu–Prausnitz (SWP) to determine the three characteristic parameters of this EoS for the Carbonate group, with the aim to describe the thermodynamic behaviour of Carbonate type compounds. For this purpose a database containing compressed and saturated liquid densities of dimethyl Carbonate and diethyl Carbonate was used. Two options were considered in order to choose the contributing functional groups in Carbonate molecules. First these molecules were considered as formed by methyl, methylene and Carbonate groups, defined as CH3, CH2 and OCOO, respectively, but the results obtained were not satisfactory. Then in a second step, the Carbonate compounds were considered formed by CH3, CH2, CH3α, CH2α and OCOO groups, taking into account the proximity effect of the oxygen atom over the neighbouring methyl and methylene groups. This last option presented deviations much lower than the first one. From the parameters calculated in this work for CH3α, CH2α and OCOO, and those determined by Elvassore et al. for CH3 and CH2 groups the vapour–liquid equilibria and PVTx values for Dialkyl Carbonate+n-alkane systems have been calculated and compared with the available experimental literature data.
Josefa García - One of the best experts on this subject based on the ideXlab platform.
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Prediction of the pressure dependence on the thermodynamic properties of Dialkyl Carbonate + alkane mixtures using Nitta–Chao model
Fluid Phase Equilibria, 2004Co-Authors: Luis Lugo, V Luna, Josefa García, Enriqueta R. López, María J. P. Comuñas, Josefa FernándezAbstract:In this work we analyze the ability of the Nitta-Chao model for the prediction of the pressure dependence of different thermodynamic properties, such as density, isobaric thermal expansivity coefficient, isothermal compressibility coefficient and internal pressure of the pure components (dimethyl Carbonate and diethyl Carbonate). We also study phase equilibria, pVTx values and their derived coefficients, internal pressures, excess molar volumes, excess molar enthalpies and excess Gibbs energies of Dialkyl Carbonate + n-alkane binary mixtures. For this purpose we have used the characteristic parameters calculated in a previous paper for Dialkyl Carbonate + n-alkane systems with a database which contained thermodynamic properties values at atmospheric pressure or near to the atmospheric pressure. The Nitta-Chao model predicts the different thermodynamic properties fairly well in the ranges of temperature 278.15 K < T < 353.15 K and of pressure 0.1 MPa < p < 60 MPa. It is important to point out that both ranges are much broader than those of the experimental values of the thermodynamic properties database used to determine the parameters.
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phase equilibria and pvt predictions for alkyl Carbonate n alkane systems using equations of state
Fluid Phase Equilibria, 2003Co-Authors: Luis Lugo, Josefa García, María J. P. Comuñas, Josefa FernándezAbstract:Abstract In this paper experimental data available in the literature on vapor–liquid equilibria, densities and excess molar volumes of Dialkyl Carbonate+ n -alkane mixtures on broad temperature and pressure ranges have been used in order to test four equations of state (EoS): Soave–Redlich–Kwong (SRK), Peng–Robinson (PR), Patel–Teja (PT) and Dohrn–Prausnitz (DP). For the pure components, when the critical parameters were not available in the literature, the group contribution method of Klincewicz and Reid was used to estimate the critical temperature and pressure. For Dialkyl Carbonate+ n -alkane mixtures we have determined the binary interaction parameter, k ij , using experimental vapor–liquid equilibria data and then with these parameters the pVTx values were predicted. The best correlations for VLE and predictions for the volumetric behavior were obtained with PR and PT equations.
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Phase equilibria and pVT predictions for alkyl Carbonate + n-alkane systems using equations of state
Fluid Phase Equilibria, 2003Co-Authors: Luis Lugo, Josefa García, María J. P. Comuñas, Josefa FernándezAbstract:Abstract In this paper experimental data available in the literature on vapor–liquid equilibria, densities and excess molar volumes of Dialkyl Carbonate+ n -alkane mixtures on broad temperature and pressure ranges have been used in order to test four equations of state (EoS): Soave–Redlich–Kwong (SRK), Peng–Robinson (PR), Patel–Teja (PT) and Dohrn–Prausnitz (DP). For the pure components, when the critical parameters were not available in the literature, the group contribution method of Klincewicz and Reid was used to estimate the critical temperature and pressure. For Dialkyl Carbonate+ n -alkane mixtures we have determined the binary interaction parameter, k ij , using experimental vapor–liquid equilibria data and then with these parameters the pVTx values were predicted. The best correlations for VLE and predictions for the volumetric behavior were obtained with PR and PT equations.
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Sako–Wu–Prausnitz equation of state for modelling phase equilibria and high-pressures PVT of mixtures containing Dialkyl Carbonate and alkane
Fluid Phase Equilibria, 2003Co-Authors: Josefa García, Luis Lugo, Manuel M. Piñeiro, Josefa FernándezAbstract:Abstract The group contribution approach of Elvassore et al. [Ind. Eng. Chem. Res. 38 (1999) 2110] has been used in combination with the cubic EoS of Sako–Wu–Prausnitz (SWP) to determine the three characteristic parameters of this EoS for the Carbonate group, with the aim to describe the thermodynamic behaviour of Carbonate type compounds. For this purpose a database containing compressed and saturated liquid densities of dimethyl Carbonate and diethyl Carbonate was used. Two options were considered in order to choose the contributing functional groups in Carbonate molecules. First these molecules were considered as formed by methyl, methylene and Carbonate groups, defined as CH3, CH2 and OCOO, respectively, but the results obtained were not satisfactory. Then in a second step, the Carbonate compounds were considered formed by CH3, CH2, CH3α, CH2α and OCOO groups, taking into account the proximity effect of the oxygen atom over the neighbouring methyl and methylene groups. This last option presented deviations much lower than the first one. From the parameters calculated in this work for CH3α, CH2α and OCOO, and those determined by Elvassore et al. for CH3 and CH2 groups the vapour–liquid equilibria and PVTx values for Dialkyl Carbonate+n-alkane systems have been calculated and compared with the available experimental literature data.
Subodh Kumar - One of the best experts on this subject based on the ideXlab platform.
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Non-Symmetrical Dialkyl Carbonate Synthesis Promoted by 1-(3-Trimethoxysilylpropyl)-3-methylimidazolium Chloride.
ChemInform, 2014Co-Authors: Subodh Kumar, Suman L. JainAbstract:A simple, efficient and environmentally benign approach for the synthesis of non-symmetrical Dialkyl Carbonates (III) (18 examples) via ionic liquid promoted transesterification of dimethyl Carbonate is developed.
-
Non-symmetrical Dialkyl Carbonate synthesis promoted by 1-(3-trimethoxysilylpropyl)-3-methylimidazolium chloride
New Journal of Chemistry, 2013Co-Authors: Subodh Kumar, Suman L. JainAbstract:An efficient synthesis of non-symmetrical Dialkyl Carbonates promoted by 1-(3-trimethoxysilylpropyl)-3-methylimidazolium chloride ionic liquid as a reaction medium is described. The ionic liquid can easily be recovered and reused several times without significant change in the activity and selectivity.