The Experts below are selected from a list of 183 Experts worldwide ranked by ideXlab platform
José S. Urieta - One of the best experts on this subject based on the ideXlab platform.
-
Solubilities of Gases in cycloethers. The solubility of 13 Nonpolar Gases in 2,5-dimethyltetrahydrofuran at 273.15 to 303.15 K and 101.32 kPa
The Journal of Chemical Thermodynamics, 2019Co-Authors: José S. Urieta, Juan I. Pardo, Francisco Gibanel, José F. Martínez-lópez, Ana M. MainarAbstract:Abstract The solubilities of Gases in liquids are interesting, not only from a practical point of view, but also because they provide a rigorous touchstone to test the structural models on the liquid state. In this work the solubilities of 13 Nonpolar Gases, He, Ne, Ar, Kr, Xe, H2, D2, N2, CH4, C2H4, C2H6, CF4, and SF6, in 2,5-dimethyltetrahydrofuran at five temperatures between (273.15 and 303.15) K and 101.32 kPa partial pressure of gas were measured and the associated thermodynamic functions were calculated. Correlation of data has been made and the capacity of prediction of several typical molecular models of liquids, namely, SPT model, perturbation theory, UNIFAC and COSMO-RS, specifically applied to gas solubilities, has been checked.
-
Solubilities of several non-polar Gases in mixtures water + 2,2,2-trifluoroethanol at 298.15 K and 101.33 kPa
Fluid Phase Equilibria, 2012Co-Authors: Ana M. Mainar, Juan I. Pardo, José F. Martínez-lópez, Elisa Langa, José S. UrietaAbstract:Abstract Solubilities of nine Nonpolar Gases (H2, N2, O2, CH4, C2H6, C2H4, CF4, SF6, and CO2) in mixtures of water + 2,2,2-trifluoroethanol (TFE) at 298.15 K and 101.33 kPa partial pressure of gas are reported. A polynomial dependence of the solubilities on the mole fraction of the binary liquid mixture is found. The Henry's constants at the vapour pressure of water, the standard changes in the Gibbs energy for the solution process and for the solvation process, and the so-called excess Henry's constant are calculated. Gibbs energies for the solution process and excess Henry's constants have been calculated using the Scaled Particle Theory (SPT).
-
Solubilities of Nonpolar Gases in Triethylene Glycol Dimethyl Ether, Tetraethylene Glycol Dimethyl Ether, Dimethyl Carbonate, and Diethyl Carbonate at 298.15 K and 101.33 kPa Partial Pressure of Gas
Journal of Chemical & Engineering Data, 2003Co-Authors: O. De La Iglesia, Ana M. Mainar, And Juan I. Pardo, José S. UrietaAbstract:The solubilities of 12 Nonpolar Gases (He, Ne, Ar, Kr, Xe, H2, N2, CH4, C2H4, C2H6, CF4, and SF6) in the liquids triethylene glycol dimethyl ether, tetraethylene glycol dimethyl ether, dimethyl carbonate, and diethyl carbonate have been measured at the temperature 298.15 K and 101.33 kPa partial pressure of gas using a saturation method. The solubilities have been expressed as mole fractions of gas dissolved and also as Henry's constants. The scaled particle theory has been applied to the results in order to obtain the distance and energy parameters of the Lennard-Jones potential for the liquids. The ability of this theory to correlate the solubilities is discussed.
-
Solubility of Gases in butanols. IV. Solubilities of Nonpolar Gases in 2-methyl-2-propanol at 303.15 K and 101.33 kPa partial pressure of gas
Fluid Phase Equilibria, 1999Co-Authors: Juan I. Pardo, María C. López, Félix M. Royo, Ana M. Mainar, José S. UrietaAbstract:Abstract Solubilities of 15 Nonpolar Gases (He, Ne, Ar, Kr, Xe, H 2 , D 2 , N 2 , O 2 , CH 4 , C 2 H 4 , C 2 H 6 , CF 4 , SF 6 , and CO 2 ) in 2-methyl-2-propanol ( tert -butanol) have been measured at the temperature 303.15 K and 101.33 kPa partial pressure of gas. Standard changes of the Gibbs energy of solution have been also determined from experimental data. The Lennard–Jones 6,12 pair potential parameters have been estimated for that solvent using the Scaled Particle Theory (SPT) and these parameters have been compared with those corresponding to the other isomers of butanol. It can be concluded that the derived energy parameters provide a measurement of the association of the alkanol. A version of the UNIFAC model has been applied and the corresponding interaction parameters for alkanes and alkanols have been determined.
-
Solubility of Gases in butanols II. Solubilities of Nonpolar Gases in 2-methyl-1-propanol from 263.15 to 303.15 K at 101.33 kPa partial pressure of gas
Fluid Phase Equilibria, 1996Co-Authors: Juan I. Pardo, María C. López, Félix M. Royo, J. Santafé, José S. UrietaAbstract:Abstract Solubilities of 15 Nonpolar Gases (He, Ne, Ar, Kr, Xe, H 2 , D 2 , N 2 , O 2 , CH 4 , C 2 H 4 , C 2 H 6 , CF 4 , SF 6 and CO 2 ) in 2-methyl-1-propanol have been measured at 263.15, 273.15, 283.15, 293.15, and 303.15 K and at the partial pressure of gas 101.33 kPa. Standard changes in the thermodynamic properties for the solution process (enthalpies, entropies and Gibbs energies) at 298.15 K have been derived from the experimental data. The scaled particle theory (SPT) has been applied in order to estimate the Lennard-Jones 6,12 pair potential parameters at 298.15 K and the dependence of the effective hard-sphere diameter on the temperature for 2-methyl-1-propanol. Theoretical solubilities and values for the thermodynamic functions have been calculated using the SPT in the reverse direction starting from the potential parameters. Results for 2-methyl-1-propanol have been compared with those corresponding to 1-butanol.
Juan I. Pardo - One of the best experts on this subject based on the ideXlab platform.
-
Solubilities of Gases in cycloethers. The solubility of 13 Nonpolar Gases in 2,5-dimethyltetrahydrofuran at 273.15 to 303.15 K and 101.32 kPa
The Journal of Chemical Thermodynamics, 2019Co-Authors: José S. Urieta, Juan I. Pardo, Francisco Gibanel, José F. Martínez-lópez, Ana M. MainarAbstract:Abstract The solubilities of Gases in liquids are interesting, not only from a practical point of view, but also because they provide a rigorous touchstone to test the structural models on the liquid state. In this work the solubilities of 13 Nonpolar Gases, He, Ne, Ar, Kr, Xe, H2, D2, N2, CH4, C2H4, C2H6, CF4, and SF6, in 2,5-dimethyltetrahydrofuran at five temperatures between (273.15 and 303.15) K and 101.32 kPa partial pressure of gas were measured and the associated thermodynamic functions were calculated. Correlation of data has been made and the capacity of prediction of several typical molecular models of liquids, namely, SPT model, perturbation theory, UNIFAC and COSMO-RS, specifically applied to gas solubilities, has been checked.
-
solubilities of several non polar Gases in mixtures water 2 2 2 trifluoroethanol at 298 15 k and 101 33 kpa
Fluid Phase Equilibria, 2012Co-Authors: Ana M. Mainar, Juan I. Pardo, Jose F Martinezlopez, Elisa Langa, J S UrietaAbstract:Abstract Solubilities of nine Nonpolar Gases (H2, N2, O2, CH4, C2H6, C2H4, CF4, SF6, and CO2) in mixtures of water + 2,2,2-trifluoroethanol (TFE) at 298.15 K and 101.33 kPa partial pressure of gas are reported. A polynomial dependence of the solubilities on the mole fraction of the binary liquid mixture is found. The Henry's constants at the vapour pressure of water, the standard changes in the Gibbs energy for the solution process and for the solvation process, and the so-called excess Henry's constant are calculated. Gibbs energies for the solution process and excess Henry's constants have been calculated using the Scaled Particle Theory (SPT).
-
Solubilities of several non-polar Gases in mixtures water + 2,2,2-trifluoroethanol at 298.15 K and 101.33 kPa
Fluid Phase Equilibria, 2012Co-Authors: Ana M. Mainar, Juan I. Pardo, José F. Martínez-lópez, Elisa Langa, José S. UrietaAbstract:Abstract Solubilities of nine Nonpolar Gases (H2, N2, O2, CH4, C2H6, C2H4, CF4, SF6, and CO2) in mixtures of water + 2,2,2-trifluoroethanol (TFE) at 298.15 K and 101.33 kPa partial pressure of gas are reported. A polynomial dependence of the solubilities on the mole fraction of the binary liquid mixture is found. The Henry's constants at the vapour pressure of water, the standard changes in the Gibbs energy for the solution process and for the solvation process, and the so-called excess Henry's constant are calculated. Gibbs energies for the solution process and excess Henry's constants have been calculated using the Scaled Particle Theory (SPT).
-
Solubilities of Nonpolar Gases in Dimethyl Carbonate and Diethyl Carbonate
Journal of Chemical & Engineering Data, 2005Co-Authors: E. Terrado, Juan I. Pardo, And José S. Urieta, Ana M. MainarAbstract:This paper reports the mole fraction solubilities of nine Nonpolar Gases (He, Ne, Ar, Kr, Xe, CH4, C2H4, C2H6, and SF6) in dimethyl carbonate and diethyl carbonate at 278.15 K and 288.15 K at a partial pressure of gas equal to 101.33 kPa. The solubility values were fitted as a linear function of the temperature. Changes in the thermodynamic functions of solution standard (Gibbs energy, enthalpy, and entropy) have been calculated from the solubilities. Finally, these results have been compared with those correlated by the scaled particle theory (SPT).
-
Solubility of Nonpolar Gases in 2,2,2-trifluoroethanol and 1,1,1,3,3,3-hexafluoropropan-2-ol at several temperatures and 101.33 kPa partial pressure of gas
Canadian Journal of Chemistry, 2001Co-Authors: Miguel Angel Sánchez, María C. López, Juan I. Pardo, Ana M. Mainar, José S. UrietaAbstract:Solubilities, expressed as mol fractions, of 14 Nonpolar Gases (He, Ne, Ar, Kr, Xe, H2, N2, O2, CH4, C2H4, C2H6, CO2, CF4, and SF6) in 2,2,2-trifluoroethanol (TFE) at 268.15 and 283.15 K and 1,1,1,3,3,3-hexafluoropropan-2-ol (HFIP) at 273.15 and 283.15 K, with the partial pressure of gas being 101.33 kPa for all measurements, are reported. Standard changes in the thermodynamic functions (enthalpy and entropy) have been calculated from the solubilities and their variation with temperature. The Scaled Particle Theory (SPT) model has been used to determine these thermodynamic functions and also the partial molar volumes of the Gases in the formed solutions.Key words: gas solubilities, Nonpolar Gases, fluoroalcohols, Scaled Particle Theory.
Flor R Siperstein - One of the best experts on this subject based on the ideXlab platform.
-
monte carlo simulation of adsorption of polar and Nonpolar Gases in fp yeu metal organic framework
Journal of Chemical & Engineering Data, 2016Co-Authors: Thaer M Aljadir, Flor R SipersteinAbstract:This work presents a study on the transferability of simulation parameters and the effect of local composition in a model metal–organic framework (MOF). (FP)YEu MOF was selected as a case study of a model MOF for modeling adsorption of polar Gases, such as H2S and H2O, and Nonpolar Gases, such as CH4, and C2H6, as it is a class of MOF that is relevant for sensor applications but that has not been widely researched. (FP)YEu has two different rare-earth metals, whose distribution is unknown. Results showed that taking interaction parameters from the literature and calculating charges using the Qeq method, the adsorption of Nonpolar Gases is overestimated, but the adsorption of polar Gases is underestimated. Although this could suggest that some pores in the material studied experimentally are inaccessible, care must be taken when using molecular simulations as a predictive tool for different MOF families.
-
Monte Carlo Simulation of Adsorption of Polar and Nonpolar Gases in (FP)YEu Metal–Organic Framework
Journal of Chemical & Engineering Data, 2016Co-Authors: Thaer M. Al-jadir, Flor R SipersteinAbstract:This work presents a study on the transferability of simulation parameters and the effect of local composition in a model metal–organic framework (MOF). (FP)YEu MOF was selected as a case study of a model MOF for modeling adsorption of polar Gases, such as H2S and H2O, and Nonpolar Gases, such as CH4, and C2H6, as it is a class of MOF that is relevant for sensor applications but that has not been widely researched. (FP)YEu has two different rare-earth metals, whose distribution is unknown. Results showed that taking interaction parameters from the literature and calculating charges using the Qeq method, the adsorption of Nonpolar Gases is overestimated, but the adsorption of polar Gases is underestimated. Although this could suggest that some pores in the material studied experimentally are inaccessible, care must be taken when using molecular simulations as a predictive tool for different MOF families.
-
Monte Carlo Simulation of Adsorption of Polar and Nonpolar Gases in (FP)YEu Metal–Organic Framework
2016Co-Authors: Thaer M. Al-jadir, Flor R SipersteinAbstract:This work presents a study on the transferability of simulation parameters and the effect of local composition in a model metal–organic framework (MOF). (FP)YEu MOF was selected as a case study of a model MOF for modeling adsorption of polar Gases, such as H2S and H2O, and Nonpolar Gases, such as CH4, and C2H6, as it is a class of MOF that is relevant for sensor applications but that has not been widely researched. (FP)YEu has two different rare-earth metals, whose distribution is unknown. Results showed that taking interaction parameters from the literature and calculating charges using the Qeq method, the adsorption of Nonpolar Gases is overestimated, but the adsorption of polar Gases is underestimated. Although this could suggest that some pores in the material studied experimentally are inaccessible, care must be taken when using molecular simulations as a predictive tool for different MOF families
Ana M. Mainar - One of the best experts on this subject based on the ideXlab platform.
-
Solubilities of Gases in cycloethers. The solubility of 13 Nonpolar Gases in 2,5-dimethyltetrahydrofuran at 273.15 to 303.15 K and 101.32 kPa
The Journal of Chemical Thermodynamics, 2019Co-Authors: José S. Urieta, Juan I. Pardo, Francisco Gibanel, José F. Martínez-lópez, Ana M. MainarAbstract:Abstract The solubilities of Gases in liquids are interesting, not only from a practical point of view, but also because they provide a rigorous touchstone to test the structural models on the liquid state. In this work the solubilities of 13 Nonpolar Gases, He, Ne, Ar, Kr, Xe, H2, D2, N2, CH4, C2H4, C2H6, CF4, and SF6, in 2,5-dimethyltetrahydrofuran at five temperatures between (273.15 and 303.15) K and 101.32 kPa partial pressure of gas were measured and the associated thermodynamic functions were calculated. Correlation of data has been made and the capacity of prediction of several typical molecular models of liquids, namely, SPT model, perturbation theory, UNIFAC and COSMO-RS, specifically applied to gas solubilities, has been checked.
-
solubilities of several non polar Gases in mixtures water 2 2 2 trifluoroethanol at 298 15 k and 101 33 kpa
Fluid Phase Equilibria, 2012Co-Authors: Ana M. Mainar, Juan I. Pardo, Jose F Martinezlopez, Elisa Langa, J S UrietaAbstract:Abstract Solubilities of nine Nonpolar Gases (H2, N2, O2, CH4, C2H6, C2H4, CF4, SF6, and CO2) in mixtures of water + 2,2,2-trifluoroethanol (TFE) at 298.15 K and 101.33 kPa partial pressure of gas are reported. A polynomial dependence of the solubilities on the mole fraction of the binary liquid mixture is found. The Henry's constants at the vapour pressure of water, the standard changes in the Gibbs energy for the solution process and for the solvation process, and the so-called excess Henry's constant are calculated. Gibbs energies for the solution process and excess Henry's constants have been calculated using the Scaled Particle Theory (SPT).
-
Solubilities of several non-polar Gases in mixtures water + 2,2,2-trifluoroethanol at 298.15 K and 101.33 kPa
Fluid Phase Equilibria, 2012Co-Authors: Ana M. Mainar, Juan I. Pardo, José F. Martínez-lópez, Elisa Langa, José S. UrietaAbstract:Abstract Solubilities of nine Nonpolar Gases (H2, N2, O2, CH4, C2H6, C2H4, CF4, SF6, and CO2) in mixtures of water + 2,2,2-trifluoroethanol (TFE) at 298.15 K and 101.33 kPa partial pressure of gas are reported. A polynomial dependence of the solubilities on the mole fraction of the binary liquid mixture is found. The Henry's constants at the vapour pressure of water, the standard changes in the Gibbs energy for the solution process and for the solvation process, and the so-called excess Henry's constant are calculated. Gibbs energies for the solution process and excess Henry's constants have been calculated using the Scaled Particle Theory (SPT).
-
Solubilities of Nonpolar Gases in Triethylene Glycol Dimethyl Ether, Tetraethylene Glycol Dimethyl Ether, Dimethyl Carbonate, and Diethyl Carbonate at 298.15 K and 101.33 kPa Partial Pressure of Gas
Journal of Chemical & Engineering Data, 2003Co-Authors: O. De La Iglesia, Ana M. Mainar, And Juan I. Pardo, José S. UrietaAbstract:The solubilities of 12 Nonpolar Gases (He, Ne, Ar, Kr, Xe, H2, N2, CH4, C2H4, C2H6, CF4, and SF6) in the liquids triethylene glycol dimethyl ether, tetraethylene glycol dimethyl ether, dimethyl carbonate, and diethyl carbonate have been measured at the temperature 298.15 K and 101.33 kPa partial pressure of gas using a saturation method. The solubilities have been expressed as mole fractions of gas dissolved and also as Henry's constants. The scaled particle theory has been applied to the results in order to obtain the distance and energy parameters of the Lennard-Jones potential for the liquids. The ability of this theory to correlate the solubilities is discussed.
-
Solubility of Gases in butanols. IV. Solubilities of Nonpolar Gases in 2-methyl-2-propanol at 303.15 K and 101.33 kPa partial pressure of gas
Fluid Phase Equilibria, 1999Co-Authors: Juan I. Pardo, María C. López, Félix M. Royo, Ana M. Mainar, José S. UrietaAbstract:Abstract Solubilities of 15 Nonpolar Gases (He, Ne, Ar, Kr, Xe, H 2 , D 2 , N 2 , O 2 , CH 4 , C 2 H 4 , C 2 H 6 , CF 4 , SF 6 , and CO 2 ) in 2-methyl-2-propanol ( tert -butanol) have been measured at the temperature 303.15 K and 101.33 kPa partial pressure of gas. Standard changes of the Gibbs energy of solution have been also determined from experimental data. The Lennard–Jones 6,12 pair potential parameters have been estimated for that solvent using the Scaled Particle Theory (SPT) and these parameters have been compared with those corresponding to the other isomers of butanol. It can be concluded that the derived energy parameters provide a measurement of the association of the alkanol. A version of the UNIFAC model has been applied and the corresponding interaction parameters for alkanes and alkanols have been determined.
María C. López - One of the best experts on this subject based on the ideXlab platform.
-
Solubility of Nonpolar Gases in 2,2,2-trifluoroethanol and 1,1,1,3,3,3-hexafluoropropan-2-ol at several temperatures and 101.33 kPa partial pressure of gas
Canadian Journal of Chemistry, 2001Co-Authors: Miguel Angel Sánchez, María C. López, Juan I. Pardo, Ana M. Mainar, José S. UrietaAbstract:Solubilities, expressed as mol fractions, of 14 Nonpolar Gases (He, Ne, Ar, Kr, Xe, H2, N2, O2, CH4, C2H4, C2H6, CO2, CF4, and SF6) in 2,2,2-trifluoroethanol (TFE) at 268.15 and 283.15 K and 1,1,1,3,3,3-hexafluoropropan-2-ol (HFIP) at 273.15 and 283.15 K, with the partial pressure of gas being 101.33 kPa for all measurements, are reported. Standard changes in the thermodynamic functions (enthalpy and entropy) have been calculated from the solubilities and their variation with temperature. The Scaled Particle Theory (SPT) model has been used to determine these thermodynamic functions and also the partial molar volumes of the Gases in the formed solutions.Key words: gas solubilities, Nonpolar Gases, fluoroalcohols, Scaled Particle Theory.
-
Solubility of Gases in butanols. IV. Solubilities of Nonpolar Gases in 2-methyl-2-propanol at 303.15 K and 101.33 kPa partial pressure of gas
Fluid Phase Equilibria, 1999Co-Authors: Juan I. Pardo, María C. López, Félix M. Royo, Ana M. Mainar, José S. UrietaAbstract:Abstract Solubilities of 15 Nonpolar Gases (He, Ne, Ar, Kr, Xe, H 2 , D 2 , N 2 , O 2 , CH 4 , C 2 H 4 , C 2 H 6 , CF 4 , SF 6 , and CO 2 ) in 2-methyl-2-propanol ( tert -butanol) have been measured at the temperature 303.15 K and 101.33 kPa partial pressure of gas. Standard changes of the Gibbs energy of solution have been also determined from experimental data. The Lennard–Jones 6,12 pair potential parameters have been estimated for that solvent using the Scaled Particle Theory (SPT) and these parameters have been compared with those corresponding to the other isomers of butanol. It can be concluded that the derived energy parameters provide a measurement of the association of the alkanol. A version of the UNIFAC model has been applied and the corresponding interaction parameters for alkanes and alkanols have been determined.
-
Solubility of Nonpolar Gases in 2,2,2-trifluoroethanol at 25°C and 101.33 kPa partial pressure of gas
Journal of Solution Chemistry, 1996Co-Authors: Ana M. Mainar, María C. López, Juan Pardo, Félix M. Royo, José S. UrietaAbstract:Solubility measurements of several Nonpolar Gases (He, Ne, Ar, Kr, Xe, H_2, N_2, CH_4, C_2H_4, C_2H_6, CF_4, SF_6, and CO_2) in 2,2,2-trifluoroethanol at 25°C and 101.33 kPa partial pressure of gas are reported. Gibbs energy for the solution process at 25°C is evaluated from the experimental values of the solubility of Gases expressed as mole fraction. Lennard-Jones 6–12 pair potential parameters for 2,2,2-trifluoroethanol are estimated by using the scaled particle theory (SPT); and experimental solubilities are compared with those calculated from the values of these parameters through the SPT model.
-
solubility of Nonpolar Gases in 2 2 2 trifluoroethanol at 25 c and 101 33 kpa partial pressure of gas
Journal of Solution Chemistry, 1996Co-Authors: Ana M. Mainar, María C. López, Juan I. Pardo, Félix M. Royo, José S. UrietaAbstract:Solubility measurements of several Nonpolar Gases (He, Ne, Ar, Kr, Xe, H2, N2, CH4, C2H4, C2H6, CF4, SF6, and CO2) in 2,2,2-trifluoroethanol at 25°C and 101.33 kPa partial pressure of gas are reported. Gibbs energy for the solution process at 25°C is evaluated from the experimental values of the solubility of Gases expressed as mole fraction. Lennard-Jones 6–12 pair potential parameters for 2,2,2-trifluoroethanol are estimated by using the scaled particle theory (SPT); and experimental solubilities are compared with those calculated from the values of these parameters through the SPT model.
-
Solubility of Gases in butanols II. Solubilities of Nonpolar Gases in 2-methyl-1-propanol from 263.15 to 303.15 K at 101.33 kPa partial pressure of gas
Fluid Phase Equilibria, 1996Co-Authors: Juan I. Pardo, María C. López, Félix M. Royo, J. Santafé, José S. UrietaAbstract:Abstract Solubilities of 15 Nonpolar Gases (He, Ne, Ar, Kr, Xe, H 2 , D 2 , N 2 , O 2 , CH 4 , C 2 H 4 , C 2 H 6 , CF 4 , SF 6 and CO 2 ) in 2-methyl-1-propanol have been measured at 263.15, 273.15, 283.15, 293.15, and 303.15 K and at the partial pressure of gas 101.33 kPa. Standard changes in the thermodynamic properties for the solution process (enthalpies, entropies and Gibbs energies) at 298.15 K have been derived from the experimental data. The scaled particle theory (SPT) has been applied in order to estimate the Lennard-Jones 6,12 pair potential parameters at 298.15 K and the dependence of the effective hard-sphere diameter on the temperature for 2-methyl-1-propanol. Theoretical solubilities and values for the thermodynamic functions have been calculated using the SPT in the reverse direction starting from the potential parameters. Results for 2-methyl-1-propanol have been compared with those corresponding to 1-butanol.
