The Experts below are selected from a list of 20994 Experts worldwide ranked by ideXlab platform
Satoru Kato - One of the best experts on this subject based on the ideXlab platform.
-
Infinite Dilution partial molar excess entropy–enthalpy compensation for thiophene, carbon dioxide and water in ionic liquids
Fluid Phase Equilibria, 2013Co-Authors: Satoru Kato, Joerg Freitag, Peter GostomskiAbstract:Abstract Infinite Dilution partial molar excess entropy–enthalpy compensation for polar solutes in an ionic liquid (IL) is investigated using the literature data of Infinite Dilution activity coefficient, ln γ 1 ∞ . Entropy–enthalpy compensation holds for the polar solutes, such as thiophene and CO2, and non-polar solutes, such as heptane and toluene. For the water + IL binaries, a converged linear relationship between Infinite Dilution partial molar excess entropy and enthalpy holds. Using the compensation rule, it is shown that, for the efficient removal of thiophene and CO2 from non-polar solutes with IL solvents, ILs having weaker molecular interactions with thiophene and CO2 are advantageous, because the entropy terms control the ln γ 1 ∞ values.
-
Infinite-Dilution Activity Coefficient Model for Predicting the SLE of Alkane/Alkane Binaries
Industrial & Engineering Chemistry Research, 2005Co-Authors: Satoru KatoAbstract:An Infinite-Dilution activity coefficient model for predicting the SLE of a binary system consisting of a long-carbon-chain alkane solute (j) and a short-carbon-chain alkane solvent (i) has been investigated using SLE data satisfying the Gibbs−Duhem equation. It has been demonstrated that the temperature dependency of heat capacities of a solute alkane has a strong effect on the Infinite-Dilution activity coefficient of the solute, ln γj∞. The criteria for the establishment of Infinite-Dilution for the alkane/alkane SLE have been proposed. Infinite-Dilution Wilson parameters introduced in the residual term of ln γj∞ have been determined from the regression using the SLE data. The Wohl equation combined with the present model accurately predicts the solubilities of the solute alkanes, while conventional models less satisfactorily predict the solubility. The ordered structure formed in a short-chain carbon solvent alkane liquid is partly destroyed, leaving the strength of molecular interactions unchanged wh...
-
Determination of Infinite-Dilution Partial Molar Excess Entropies and Enthalpies from the Infinite-Dilution Activity Coefficient Data of Alkane Solutes Diluted in Longer-Chain-Alkane Solvents
Industrial & Engineering Chemistry Research, 2003Co-Authors: Satoru Kato, Daisuke Hoshino, And Hidetaka Noritomi, Kunio NagahamaAbstract:Reliable values of partial molar excess entropies and partial molar excess enthalpies at Infinite Dilution of short-carbon-chain alkanes diluted in long-carbon-chain alkanes are required for the critical verification of conventional activity coefficient models. They are scarce in the literature because of the lack of pertinent criteria for the selection of extensive data for Infinite-Dilution activity coefficients, γi∞. The criteria for the selection of literature data for ln γi∞ have been established, and reliable values of partial molar excess entropies and partial molar excess enthalpies at Infinite Dilution have been determined. It has been shown that both are positive and that each quantity is correlated as a linear function with a dispersion force parameter. It has been demonstrated that only a quite limited part of each quantity is accurately predicted by conventional activity coefficient models.
Ireneo Kikic - One of the best experts on this subject based on the ideXlab platform.
-
Activity Coefficients at Infinite Dilution by GLC in Alkanediamines as Stationary Phases
Journal of Chemical & Engineering Data, 2011Co-Authors: Kamel Khimeche, Ireneo Kikic, Paolo Alessi, Abdellah Dahmani, Angelo CortesiAbstract:The Infinite-Dilution activity coefficients (γ∞) of paraffins, olefins, chloroparaffins, aromatics, alcohols, ethers, and acetates were measured by medium-pressure gas–liquid chromatography (GLC) in alkanediamines: octane-1,8-diamine, decane-1,10-diamine, and dodecane-1,12-diamine at temperatures from (328.15 to 363.15) K. The present measurements show good agreement with available literature data. The partial molar excess enthalpies at Infinite Dilution, ΔHiE,∞, were calculated from the experimental γi∞ values obtained over the temperature range. In order to determine the different interactions between the solutes and solvents, the linear solvation energy relationship (LSER) or “Abraham method” was applied.
-
Determination of partial molar volumes at Infinite Dilution of alcohols and terpenes in supercritical carbon dioxide
The Journal of Supercritical Fluids, 1996Co-Authors: Angelo Cortesi, Ireneo Kikic, B. Spicka, K. Magoulas, Dimitrios P. TassiosAbstract:Abstract The use of supercritical fluid chromatography for determining partial molar volumes of alcohols and terpenes at Infinite Dilution in supercritical CO2 is presented and discussed. Partial molar volumes at Infinite Dilution are obtained from the variation of the retention properties with the density of mobile phase at 313.15 K and in the pressure range from 85 to 280 bar.
-
Determination of partial molar volumes at Infinite Dilution using SFC technique
The Journal of Supercritical Fluids, 1994Co-Authors: B. Spicka, Maurizio Fermeglia, Angelo Cortesi, Ireneo KikicAbstract:Abstract The use of supercritical-fluid chromatography for determining partial molar volumes of some substances (linear, cyclic and aromatic hydrocarbons, benzaldehyde) at Infinite Dilution in supercritical C02 is presented and discussed. Partial molar volumes at Infinite Dilution are obtained from the variation of the retention properties with the density of mobile phase at 313.15 K and in the pressure range from 80 to 280 bar.
Angelo Cortesi - One of the best experts on this subject based on the ideXlab platform.
-
Activity Coefficients at Infinite Dilution by GLC in Alkanediamines as Stationary Phases
Journal of Chemical & Engineering Data, 2011Co-Authors: Kamel Khimeche, Ireneo Kikic, Paolo Alessi, Abdellah Dahmani, Angelo CortesiAbstract:The Infinite-Dilution activity coefficients (γ∞) of paraffins, olefins, chloroparaffins, aromatics, alcohols, ethers, and acetates were measured by medium-pressure gas–liquid chromatography (GLC) in alkanediamines: octane-1,8-diamine, decane-1,10-diamine, and dodecane-1,12-diamine at temperatures from (328.15 to 363.15) K. The present measurements show good agreement with available literature data. The partial molar excess enthalpies at Infinite Dilution, ΔHiE,∞, were calculated from the experimental γi∞ values obtained over the temperature range. In order to determine the different interactions between the solutes and solvents, the linear solvation energy relationship (LSER) or “Abraham method” was applied.
-
Determination of partial molar volumes at Infinite Dilution of alcohols and terpenes in supercritical carbon dioxide
The Journal of Supercritical Fluids, 1996Co-Authors: Angelo Cortesi, Ireneo Kikic, B. Spicka, K. Magoulas, Dimitrios P. TassiosAbstract:Abstract The use of supercritical fluid chromatography for determining partial molar volumes of alcohols and terpenes at Infinite Dilution in supercritical CO2 is presented and discussed. Partial molar volumes at Infinite Dilution are obtained from the variation of the retention properties with the density of mobile phase at 313.15 K and in the pressure range from 85 to 280 bar.
-
Determination of partial molar volumes at Infinite Dilution using SFC technique
The Journal of Supercritical Fluids, 1994Co-Authors: B. Spicka, Maurizio Fermeglia, Angelo Cortesi, Ireneo KikicAbstract:Abstract The use of supercritical-fluid chromatography for determining partial molar volumes of some substances (linear, cyclic and aromatic hydrocarbons, benzaldehyde) at Infinite Dilution in supercritical C02 is presented and discussed. Partial molar volumes at Infinite Dilution are obtained from the variation of the retention properties with the density of mobile phase at 313.15 K and in the pressure range from 80 to 280 bar.
Stanley I. Sandler - One of the best experts on this subject based on the ideXlab platform.
-
Infinite Dilution activity coefficients from ab initio solvation calculations
Aiche Journal, 1999Co-Authors: Shiangtai Lin, Stanley I. SandlerAbstract:A Group Contribution Solvation (GCS) model was developed to calculate Infinite Dilution activity coefficients (γ∞) based on modern computational chemistry. The GCS model results in an average error of 7% in γ∞ for the limited number of data points among water, n-hexane, acetonitrile and n-octanol, whereas the errors are 47% and 52% with the UNIFAC model and the modified UNIFAC model, respectively. GCS was also used to calculate Infinite Dilution partition coefficients, which can be used to determine how a dilute solute partitions between two solvents. Solutes were examined in three different liquid-liquid systems: water/n-hexane, water/acetonitrile, and water/n-octanol. With GCS, the average errors are 22% (for 18 solutes), 18% (for 14 solutes) and 14% (for 15 solutes) for these solvent systems, while comparable errors are 237%, 286% and 226% with UNIFAC; and 342%, 414% and 306% with modified UNIFAC. The GCS model is a powerful new tool to predict the octanol-water partition coefficients.
-
Headspace gas chromatography for measurement of Infinite Dilution activity coefficients of C4 alcohols in water
Fluid Phase Equilibria, 1999Co-Authors: Paul G Whitehead, Stanley I. SandlerAbstract:For environmental and other reasons, there is interest in determining values of Infinite Dilution activity coefficients (γ∞) of organic solutes in volatile solvents, particularly in water. Here, we present a detailed description of a headspace gas chromatograph recently constructed for the measurement of Infinite Dilution activity coefficients and report values of γ∞ for 1-butanol, 2-butanol, 2-methyl-1-propanol (iso-butanol) and 2-methyl-2-propanol (tert-butanol) in water at 298.15, 303.15 and 308.15 K respectively. Our results at 298.15 K compare favorably with previously reported γ∞ data for these compounds. There is no comparable data at 303.15 and 308.15 K. Also, from these data we compute the excess enthalpy at Infinite Dilution, HE∞, for these compounds in water. Comparisons with published data for HE∞ extrapolated from finite concentration show considerable discrepancies.
-
Infinite Dilution activity coefficients in chemical, environmental and biochemical engineering
Fluid Phase Equilibria, 1996Co-Authors: Stanley I. SandlerAbstract:Abstract Here we briefly review several methods by which Infinite Dilution activity coefficients can be obtained, and then consider how such data can be used. In particular, we examine the accuracy of predictions of vapor-liquid equilibria over the complete concentration range, and over a range of temperatures based on Infinite Dilution activity coefficient data at a single temperature. Next, we review the direct use of Infinite Dilution activity coefficients in estimating the environmental fate of chemicals released into the atmosphere. Finally, the thermodynamics of some systems of biochemical interest are considered.
-
Aqueous Solubilities and Infinite Dilution Activity Coefficients of Several Polycyclic Aromatic Hydrocarbons
Journal of Chemical & Engineering Data, 1995Co-Authors: Robert I. Haines, Stanley I. SandlerAbstract:Determining the aqueous solubilities and Infinite Dilution activity coefficients of polycyclic aromatic hydrocarbons (PAHs) is important for environmental reasons. However, common methods for the measurement of Infinite Dilution activity coefficients, such as ebulliometry or gas chromatography, cannot be used for solutes that are only very slightly soluble in water and have very low vapor pressures, such as the PAHs. Here we report values of the aqueous Infinite Dilution activity coefficients of four polycyclic aromatic hydrocarbons obtained by measuring their very low aqueous solubilities and their enthalpies of fusion. The values of the Infinite Dilution activity coefficients we obtain range from 4.2 x 10 5 for acenaphthene to 3.7 x 10 8 for benzo[a]pyrene, with an average error of ±12.5%.
-
Infinite Dilution activity coefficients for oxygenate systems determined using a differential static cell
Journal of Chemical & Engineering Data, 1992Co-Authors: Katherine A. Pividal, Andreas Birtigh, Stanley I. SandlerAbstract:A new differential static cell apparatus has been used to measure activity coefficients at Infinite Dilution for binary systems of water separately with methanol, ethanol, 2-propanol, tetrahydrofuran, and methanol in cyclohexane as a function of temperature, and at 15 o C, we report all binary Infinite Dilution activity coefficients among methanol-MTBE-cyclopentane and water-2-propanol-ethyl acetate. A description of the apparatus and experimental procedure is given, as well as an error analysis of our experimental data
B. Spicka - One of the best experts on this subject based on the ideXlab platform.
-
Determination of partial molar volumes at Infinite Dilution of alcohols and terpenes in supercritical carbon dioxide
The Journal of Supercritical Fluids, 1996Co-Authors: Angelo Cortesi, Ireneo Kikic, B. Spicka, K. Magoulas, Dimitrios P. TassiosAbstract:Abstract The use of supercritical fluid chromatography for determining partial molar volumes of alcohols and terpenes at Infinite Dilution in supercritical CO2 is presented and discussed. Partial molar volumes at Infinite Dilution are obtained from the variation of the retention properties with the density of mobile phase at 313.15 K and in the pressure range from 85 to 280 bar.
-
Determination of partial molar volumes at Infinite Dilution using SFC technique
The Journal of Supercritical Fluids, 1994Co-Authors: B. Spicka, Maurizio Fermeglia, Angelo Cortesi, Ireneo KikicAbstract:Abstract The use of supercritical-fluid chromatography for determining partial molar volumes of some substances (linear, cyclic and aromatic hydrocarbons, benzaldehyde) at Infinite Dilution in supercritical C02 is presented and discussed. Partial molar volumes at Infinite Dilution are obtained from the variation of the retention properties with the density of mobile phase at 313.15 K and in the pressure range from 80 to 280 bar.
