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Jia-zhen Yang - One of the best experts on this subject based on the ideXlab platform.
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ionic Parachor and its application to pyridinium based ionic liquids of cnpy dca n 2 3 4 5 6
The Journal of Chemical Thermodynamics, 2015Co-Authors: Jie Wei, Wei Guan, Yi Pan, Ling Zheng, Jia-zhen YangAbstract:Abstract Three novel dicyanamide ionic liquids (ILs) [Cnpy][DCA] (n = 3, 5, 6) and two [Cnpy][DCA] (n = 2, 4) (N-alkyl-pyridinium dicyanamide) were prepared and characterized by 1H NMR spectroscopy, 13C NMR spectroscopy, differential scanning calorimetry (DSC), High Performance Liquid Chromatography (HPLC) and FT-IR spectroscopy. The density, surface tension and refractive index were determined by the standard addition method (SAM) at T = 298.15 K. The experiment values of Parachor for [Cnpy][DCA] (n = 2, 3, 4, 5, 6) were calculated and the ionic Parachor of anion, [DCA]− as a reference ion was obtained in terms of the extrathermodynamic assumption, and then the ionic Parachor, P+, of all corresponding pyridinium cations, [Cnpy]+, were obtained. Using the values of P+ of [Cnpy]+ and [Cnmim]+ in our previous papers, the values of ionic Parachor for 10 kinds of anions were obtained. By using the ionic Parachor, the values of Parachor for 47 ionic liquids were obtained, which are more closed to their experiment values than the values of Parachor obtained by Rowley et al. The values of surface tension for 52 ionic liquids and the values of refractive index for 22 ionic liquids were predicted using the estimated values of Parachor with their experimental expanded uncertainty at 0.95 confidence level of ±0.3 mJ · m−2 and ±0.0003, respectively.
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the ionic Parachor and predicting properties of amino acid ionic liquid homologues of 1 alkyl 3 methylimidazolium glycine
Science China-chemistry, 2012Co-Authors: Jing Tong, Wei Guan, Da-wei Fang, Mei Hong, Panpan Wang, Jia-zhen YangAbstract:The amino acid ionic liquids (AAILs) [C3mim][Gly] (1-propyl-3-methylimidazolium glycine) and [C4mim][Gly] (1-butyl-3-methylimidazolium glycine) have been prepared by the neutralization method and characterized by 1H NMR spectroscopy and differential scanning calorimetry (DSC). The values of their density, surface tension and refractive index were measured at (298.15 ± 0.05) K. Since the AAILs can form strong hydrogen bonds with water, small amounts of water are difficult to remove from the AAILs by common methods. In order to eliminate the effect of the impurity water, the standard addition method (SAM) was applied to these measurements. A new concept which is called the ionic Parachor has been put forward. The [C n mim]+ cations were treated as a group of reference ions and the individual values of their ionic Parachor were evaluated in terms of an extrathermodynamic assumption. Then, using the values of the ionic Parachor of reference ions, the Parachor, surface tension γ and refractive index n D of the ionic liquids investigated in this work were estimated. The estimated values correlate quite well with the corresponding experimental values.
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ionic Parachor and its application ii ionic liquid homologues of 1 alkyl 3 methylimidazolium propionate cnmim pro n 2 6
Journal of Physical Chemistry B, 2012Co-Authors: Jing Tong, Wei Guan, Yuxia Kong, Yan Chen, Jia-zhen YangAbstract:Five propionic acid ionic liquids (PrAILs) [Cnmim][Pro] (n = 2–6) (1-alkyl-3-methylimidazolium propionate) have been prepared by the neutralization method and characterized by 1H NMR spectroscopy and differential scanning calorimetry (DSC). Their density, ρ, surface tension, γ, and refractive index, nD, were measured at (298.15 ± 0.05) K, and the experimental values of Parachor for the PrAILs were calculated. Using the Parachor values of [Cnmim]+ obtained by Guan et al., the anionic Parachor values of [Cnmim][Pro] (n = 2–6), [C2mim][RBF3] (R = N-CnH2n+1 (n = 1–5)), [Cnmim][Gly] (n = 2–6), and [Cnmim][PF3(CF2CF3)3] (n = 1–6) were determined. Then, the Parachor, surface tension, and refractive index of the ILs investigated in this work were estimated. The estimated values correlate quite well with the corresponding experimental values.
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ionic Parachor and its application in acetic acid ionic liquid homologue 1 alkyl 3 methylimidazolium acetate cnmim oac n 2 3 4 5 6
Journal of Physical Chemistry B, 2011Co-Authors: Wei Guan, Jing Tong, Da-wei Fang, Jia-zhen YangAbstract:Five acetic acid ionic liquids (AcAILs) [Cnmim][OAc](n = 2,3,4,5,6) (1-alkyl-3-methylimidazolium acetate) were prepared by the neutralization method and characterized by 1HNMR spectroscopy and differential scanning calorimetry (DSC). The values of their density and surface tension were measured at 298.15 ± 0.05 K. Since the AcAILs can strongly form hydrogen bonds with water, the small amounts of water are difficult to remove from the AcAILs by common methods. In order to eliminate the effect of the trace water, the standard addition method (SAM) was applied to these measurements. As a new concept, ionic Parachor was put forward. [OAc]− was seen as a reference ion, and its individual value of ionic Parachor was determined in terms of two extrathermodynamic assumptions. Then, the values of ionic Parachors of a number of anions, [NTf2]−, [Ala]−, [AlCl4]−, and [GaCl4]−, were obtained by using the value of the ionic Parachor of the reference ion; the Parachor and surface tension of the investigated ionic liqui...
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prediction of the thermodynamic properties of 1 alkyl 3 methylimidazolium lactate ionic liquids c n mim lact n 2 3 4 5 and 6 by Parachor
Science China-chemistry, 2010Co-Authors: Da-wei Fang, Wei Guan, Jing Tong, Han Wang, Jia-zhen YangAbstract:An ionic liquid (IL) based on lactate, 1-butyl-3-methylimidazolium lactate ([C4mim][Lact]), has been prepared and characterized by 1H nuclear magnetic resonance (NMR) spectroscopy and differential scanning calorimetry (DSC). Since the IL can form strong hydrogen bonds with water, trace water is a problematic impurity in the IL. Using the standard addition method (SAM), the density, refractive index and surface tension of [C4mim][Lact] were measured in the temperature range (308.15 to 343.15 ± 0.05) K. On the basis of the experimental data, the Parachor and molar volume for [C4mim][Lact], and the molecular volume Vm, surface tension γ, molar enthalpy of vaporization ΔlgHm0, refractive index nD, and the thermal expansion coefficients α, for the homologues [Cnmim][Lact] (n = 2, 3, 4, 5, and 6) were estimated using semi-empirical methods. The estimated values are in good agreement with the experimental data.
Da-wei Fang - One of the best experts on this subject based on the ideXlab platform.
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the static and transport properties of ether based perrhenate ionic liquids and the ionic Parachor application
The Journal of Chemical Thermodynamics, 2021Co-Authors: Siao Kui, Zongren Song, Lu Gong, Da-wei FangAbstract:Abstract Two novel ether-based perrhenate ionic liquids [C22OnIm][ReO4](n = 1,2) were synthesized and characterized. The static properties and transport properties were measured, and the extended properties were calculated and investigated in the certain temperature range. Using the six anions of [ReO4]−, [OAc]−, [DCA]−, [NTF2]−, [SCN]− and [TfO]− as the reference ions, the values of cationic Parachor for [C22OnIm]+ (n = 1,2) were obtained for the first time. The predicted values of Parachor, surface tension and refractive index of 7 kinds of ionic liquids were obtained by the cationic Parachor values, which are correlated quite well with their matching experimental ones. The ether-functionalization of cation could decrease the viscosity of ILs, especially 2-ethoxyethyl (2O2) group.
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the ionic Parachor and predicting properties of amino acid ionic liquid homologues of 1 alkyl 3 methylimidazolium glycine
Science China-chemistry, 2012Co-Authors: Jing Tong, Wei Guan, Da-wei Fang, Mei Hong, Panpan Wang, Jia-zhen YangAbstract:The amino acid ionic liquids (AAILs) [C3mim][Gly] (1-propyl-3-methylimidazolium glycine) and [C4mim][Gly] (1-butyl-3-methylimidazolium glycine) have been prepared by the neutralization method and characterized by 1H NMR spectroscopy and differential scanning calorimetry (DSC). The values of their density, surface tension and refractive index were measured at (298.15 ± 0.05) K. Since the AAILs can form strong hydrogen bonds with water, small amounts of water are difficult to remove from the AAILs by common methods. In order to eliminate the effect of the impurity water, the standard addition method (SAM) was applied to these measurements. A new concept which is called the ionic Parachor has been put forward. The [C n mim]+ cations were treated as a group of reference ions and the individual values of their ionic Parachor were evaluated in terms of an extrathermodynamic assumption. Then, using the values of the ionic Parachor of reference ions, the Parachor, surface tension γ and refractive index n D of the ionic liquids investigated in this work were estimated. The estimated values correlate quite well with the corresponding experimental values.
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ionic Parachor and its application in acetic acid ionic liquid homologue 1 alkyl 3 methylimidazolium acetate cnmim oac n 2 3 4 5 6
Journal of Physical Chemistry B, 2011Co-Authors: Wei Guan, Jing Tong, Da-wei Fang, Jia-zhen YangAbstract:Five acetic acid ionic liquids (AcAILs) [Cnmim][OAc](n = 2,3,4,5,6) (1-alkyl-3-methylimidazolium acetate) were prepared by the neutralization method and characterized by 1HNMR spectroscopy and differential scanning calorimetry (DSC). The values of their density and surface tension were measured at 298.15 ± 0.05 K. Since the AcAILs can strongly form hydrogen bonds with water, the small amounts of water are difficult to remove from the AcAILs by common methods. In order to eliminate the effect of the trace water, the standard addition method (SAM) was applied to these measurements. As a new concept, ionic Parachor was put forward. [OAc]− was seen as a reference ion, and its individual value of ionic Parachor was determined in terms of two extrathermodynamic assumptions. Then, the values of ionic Parachors of a number of anions, [NTf2]−, [Ala]−, [AlCl4]−, and [GaCl4]−, were obtained by using the value of the ionic Parachor of the reference ion; the Parachor and surface tension of the investigated ionic liqui...
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prediction of the thermodynamic properties of 1 alkyl 3 methylimidazolium lactate ionic liquids c n mim lact n 2 3 4 5 and 6 by Parachor
Science China-chemistry, 2010Co-Authors: Da-wei Fang, Wei Guan, Jing Tong, Han Wang, Jia-zhen YangAbstract:An ionic liquid (IL) based on lactate, 1-butyl-3-methylimidazolium lactate ([C4mim][Lact]), has been prepared and characterized by 1H nuclear magnetic resonance (NMR) spectroscopy and differential scanning calorimetry (DSC). Since the IL can form strong hydrogen bonds with water, trace water is a problematic impurity in the IL. Using the standard addition method (SAM), the density, refractive index and surface tension of [C4mim][Lact] were measured in the temperature range (308.15 to 343.15 ± 0.05) K. On the basis of the experimental data, the Parachor and molar volume for [C4mim][Lact], and the molecular volume Vm, surface tension γ, molar enthalpy of vaporization ΔlgHm0, refractive index nD, and the thermal expansion coefficients α, for the homologues [Cnmim][Lact] (n = 2, 3, 4, 5, and 6) were estimated using semi-empirical methods. The estimated values are in good agreement with the experimental data.
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predicting properties of amino acid ionic liquid homologue of 1 alkyl 3 methylimidazolium glycine
Journal of Physical Chemistry B, 2010Co-Authors: Da-wei Fang, Wei Guan, Jing Tong, Han Wang, Jia-zhen YangAbstract:Amino acid ionic liquids (AAILs) [C5mim][Gly] (1-pentyl-3-methylimidazolium glycine) and [C6mim][Gly] (1-hexyl-3-methylimidazolium glycine) were prepared by the neutralization method and characterized by 1H NMR spectroscopy and differential scanning calorimetry (DSC). The values of their density, surface tension, and refractive index were measured in the temperature range of 293.15−343.15 (±0.05) K. Since the AAILs can strongly form hydrogen bonds with water, the small amounts of water are difficult to remove from the AAILs by common methods. In order to eliminate the effect of the impurity water, the standard addition method (SAM) was applied to these measurements. In terms of semiempirical method, physicochemical properties molecular volume Vm, standard molar entropy S0, Parachor P, surface tension γ, thermal expansion coefficients α, molar refraction Rm, and refractive index nD of the homologue of [Cnmim][Gly] (n = 2−6) were predicted. In comparison with the values of [C2mim][Gly] in literature, the pr...
Wei Guan - One of the best experts on this subject based on the ideXlab platform.
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ionic Parachor and its application to pyridinium based ionic liquids of cnpy dca n 2 3 4 5 6
The Journal of Chemical Thermodynamics, 2015Co-Authors: Jie Wei, Wei Guan, Yi Pan, Ling Zheng, Jia-zhen YangAbstract:Abstract Three novel dicyanamide ionic liquids (ILs) [Cnpy][DCA] (n = 3, 5, 6) and two [Cnpy][DCA] (n = 2, 4) (N-alkyl-pyridinium dicyanamide) were prepared and characterized by 1H NMR spectroscopy, 13C NMR spectroscopy, differential scanning calorimetry (DSC), High Performance Liquid Chromatography (HPLC) and FT-IR spectroscopy. The density, surface tension and refractive index were determined by the standard addition method (SAM) at T = 298.15 K. The experiment values of Parachor for [Cnpy][DCA] (n = 2, 3, 4, 5, 6) were calculated and the ionic Parachor of anion, [DCA]− as a reference ion was obtained in terms of the extrathermodynamic assumption, and then the ionic Parachor, P+, of all corresponding pyridinium cations, [Cnpy]+, were obtained. Using the values of P+ of [Cnpy]+ and [Cnmim]+ in our previous papers, the values of ionic Parachor for 10 kinds of anions were obtained. By using the ionic Parachor, the values of Parachor for 47 ionic liquids were obtained, which are more closed to their experiment values than the values of Parachor obtained by Rowley et al. The values of surface tension for 52 ionic liquids and the values of refractive index for 22 ionic liquids were predicted using the estimated values of Parachor with their experimental expanded uncertainty at 0.95 confidence level of ±0.3 mJ · m−2 and ±0.0003, respectively.
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the ionic Parachor and predicting properties of amino acid ionic liquid homologues of 1 alkyl 3 methylimidazolium glycine
Science China-chemistry, 2012Co-Authors: Jing Tong, Wei Guan, Da-wei Fang, Mei Hong, Panpan Wang, Jia-zhen YangAbstract:The amino acid ionic liquids (AAILs) [C3mim][Gly] (1-propyl-3-methylimidazolium glycine) and [C4mim][Gly] (1-butyl-3-methylimidazolium glycine) have been prepared by the neutralization method and characterized by 1H NMR spectroscopy and differential scanning calorimetry (DSC). The values of their density, surface tension and refractive index were measured at (298.15 ± 0.05) K. Since the AAILs can form strong hydrogen bonds with water, small amounts of water are difficult to remove from the AAILs by common methods. In order to eliminate the effect of the impurity water, the standard addition method (SAM) was applied to these measurements. A new concept which is called the ionic Parachor has been put forward. The [C n mim]+ cations were treated as a group of reference ions and the individual values of their ionic Parachor were evaluated in terms of an extrathermodynamic assumption. Then, using the values of the ionic Parachor of reference ions, the Parachor, surface tension γ and refractive index n D of the ionic liquids investigated in this work were estimated. The estimated values correlate quite well with the corresponding experimental values.
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ionic Parachor and its application ii ionic liquid homologues of 1 alkyl 3 methylimidazolium propionate cnmim pro n 2 6
Journal of Physical Chemistry B, 2012Co-Authors: Jing Tong, Wei Guan, Yuxia Kong, Yan Chen, Jia-zhen YangAbstract:Five propionic acid ionic liquids (PrAILs) [Cnmim][Pro] (n = 2–6) (1-alkyl-3-methylimidazolium propionate) have been prepared by the neutralization method and characterized by 1H NMR spectroscopy and differential scanning calorimetry (DSC). Their density, ρ, surface tension, γ, and refractive index, nD, were measured at (298.15 ± 0.05) K, and the experimental values of Parachor for the PrAILs were calculated. Using the Parachor values of [Cnmim]+ obtained by Guan et al., the anionic Parachor values of [Cnmim][Pro] (n = 2–6), [C2mim][RBF3] (R = N-CnH2n+1 (n = 1–5)), [Cnmim][Gly] (n = 2–6), and [Cnmim][PF3(CF2CF3)3] (n = 1–6) were determined. Then, the Parachor, surface tension, and refractive index of the ILs investigated in this work were estimated. The estimated values correlate quite well with the corresponding experimental values.
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ionic Parachor and its application in acetic acid ionic liquid homologue 1 alkyl 3 methylimidazolium acetate cnmim oac n 2 3 4 5 6
Journal of Physical Chemistry B, 2011Co-Authors: Wei Guan, Jing Tong, Da-wei Fang, Jia-zhen YangAbstract:Five acetic acid ionic liquids (AcAILs) [Cnmim][OAc](n = 2,3,4,5,6) (1-alkyl-3-methylimidazolium acetate) were prepared by the neutralization method and characterized by 1HNMR spectroscopy and differential scanning calorimetry (DSC). The values of their density and surface tension were measured at 298.15 ± 0.05 K. Since the AcAILs can strongly form hydrogen bonds with water, the small amounts of water are difficult to remove from the AcAILs by common methods. In order to eliminate the effect of the trace water, the standard addition method (SAM) was applied to these measurements. As a new concept, ionic Parachor was put forward. [OAc]− was seen as a reference ion, and its individual value of ionic Parachor was determined in terms of two extrathermodynamic assumptions. Then, the values of ionic Parachors of a number of anions, [NTf2]−, [Ala]−, [AlCl4]−, and [GaCl4]−, were obtained by using the value of the ionic Parachor of the reference ion; the Parachor and surface tension of the investigated ionic liqui...
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prediction of the thermodynamic properties of 1 alkyl 3 methylimidazolium lactate ionic liquids c n mim lact n 2 3 4 5 and 6 by Parachor
Science China-chemistry, 2010Co-Authors: Da-wei Fang, Wei Guan, Jing Tong, Han Wang, Jia-zhen YangAbstract:An ionic liquid (IL) based on lactate, 1-butyl-3-methylimidazolium lactate ([C4mim][Lact]), has been prepared and characterized by 1H nuclear magnetic resonance (NMR) spectroscopy and differential scanning calorimetry (DSC). Since the IL can form strong hydrogen bonds with water, trace water is a problematic impurity in the IL. Using the standard addition method (SAM), the density, refractive index and surface tension of [C4mim][Lact] were measured in the temperature range (308.15 to 343.15 ± 0.05) K. On the basis of the experimental data, the Parachor and molar volume for [C4mim][Lact], and the molecular volume Vm, surface tension γ, molar enthalpy of vaporization ΔlgHm0, refractive index nD, and the thermal expansion coefficients α, for the homologues [Cnmim][Lact] (n = 2, 3, 4, 5, and 6) were estimated using semi-empirical methods. The estimated values are in good agreement with the experimental data.
Jing Tong - One of the best experts on this subject based on the ideXlab platform.
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the ionic Parachor and predicting properties of amino acid ionic liquid homologues of 1 alkyl 3 methylimidazolium glycine
Science China-chemistry, 2012Co-Authors: Jing Tong, Wei Guan, Da-wei Fang, Mei Hong, Panpan Wang, Jia-zhen YangAbstract:The amino acid ionic liquids (AAILs) [C3mim][Gly] (1-propyl-3-methylimidazolium glycine) and [C4mim][Gly] (1-butyl-3-methylimidazolium glycine) have been prepared by the neutralization method and characterized by 1H NMR spectroscopy and differential scanning calorimetry (DSC). The values of their density, surface tension and refractive index were measured at (298.15 ± 0.05) K. Since the AAILs can form strong hydrogen bonds with water, small amounts of water are difficult to remove from the AAILs by common methods. In order to eliminate the effect of the impurity water, the standard addition method (SAM) was applied to these measurements. A new concept which is called the ionic Parachor has been put forward. The [C n mim]+ cations were treated as a group of reference ions and the individual values of their ionic Parachor were evaluated in terms of an extrathermodynamic assumption. Then, using the values of the ionic Parachor of reference ions, the Parachor, surface tension γ and refractive index n D of the ionic liquids investigated in this work were estimated. The estimated values correlate quite well with the corresponding experimental values.
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ionic Parachor and its application ii ionic liquid homologues of 1 alkyl 3 methylimidazolium propionate cnmim pro n 2 6
Journal of Physical Chemistry B, 2012Co-Authors: Jing Tong, Wei Guan, Yuxia Kong, Yan Chen, Jia-zhen YangAbstract:Five propionic acid ionic liquids (PrAILs) [Cnmim][Pro] (n = 2–6) (1-alkyl-3-methylimidazolium propionate) have been prepared by the neutralization method and characterized by 1H NMR spectroscopy and differential scanning calorimetry (DSC). Their density, ρ, surface tension, γ, and refractive index, nD, were measured at (298.15 ± 0.05) K, and the experimental values of Parachor for the PrAILs were calculated. Using the Parachor values of [Cnmim]+ obtained by Guan et al., the anionic Parachor values of [Cnmim][Pro] (n = 2–6), [C2mim][RBF3] (R = N-CnH2n+1 (n = 1–5)), [Cnmim][Gly] (n = 2–6), and [Cnmim][PF3(CF2CF3)3] (n = 1–6) were determined. Then, the Parachor, surface tension, and refractive index of the ILs investigated in this work were estimated. The estimated values correlate quite well with the corresponding experimental values.
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ionic Parachor and its application in acetic acid ionic liquid homologue 1 alkyl 3 methylimidazolium acetate cnmim oac n 2 3 4 5 6
Journal of Physical Chemistry B, 2011Co-Authors: Wei Guan, Jing Tong, Da-wei Fang, Jia-zhen YangAbstract:Five acetic acid ionic liquids (AcAILs) [Cnmim][OAc](n = 2,3,4,5,6) (1-alkyl-3-methylimidazolium acetate) were prepared by the neutralization method and characterized by 1HNMR spectroscopy and differential scanning calorimetry (DSC). The values of their density and surface tension were measured at 298.15 ± 0.05 K. Since the AcAILs can strongly form hydrogen bonds with water, the small amounts of water are difficult to remove from the AcAILs by common methods. In order to eliminate the effect of the trace water, the standard addition method (SAM) was applied to these measurements. As a new concept, ionic Parachor was put forward. [OAc]− was seen as a reference ion, and its individual value of ionic Parachor was determined in terms of two extrathermodynamic assumptions. Then, the values of ionic Parachors of a number of anions, [NTf2]−, [Ala]−, [AlCl4]−, and [GaCl4]−, were obtained by using the value of the ionic Parachor of the reference ion; the Parachor and surface tension of the investigated ionic liqui...
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prediction of the thermodynamic properties of 1 alkyl 3 methylimidazolium lactate ionic liquids c n mim lact n 2 3 4 5 and 6 by Parachor
Science China-chemistry, 2010Co-Authors: Da-wei Fang, Wei Guan, Jing Tong, Han Wang, Jia-zhen YangAbstract:An ionic liquid (IL) based on lactate, 1-butyl-3-methylimidazolium lactate ([C4mim][Lact]), has been prepared and characterized by 1H nuclear magnetic resonance (NMR) spectroscopy and differential scanning calorimetry (DSC). Since the IL can form strong hydrogen bonds with water, trace water is a problematic impurity in the IL. Using the standard addition method (SAM), the density, refractive index and surface tension of [C4mim][Lact] were measured in the temperature range (308.15 to 343.15 ± 0.05) K. On the basis of the experimental data, the Parachor and molar volume for [C4mim][Lact], and the molecular volume Vm, surface tension γ, molar enthalpy of vaporization ΔlgHm0, refractive index nD, and the thermal expansion coefficients α, for the homologues [Cnmim][Lact] (n = 2, 3, 4, 5, and 6) were estimated using semi-empirical methods. The estimated values are in good agreement with the experimental data.
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predicting properties of amino acid ionic liquid homologue of 1 alkyl 3 methylimidazolium glycine
Journal of Physical Chemistry B, 2010Co-Authors: Da-wei Fang, Wei Guan, Jing Tong, Han Wang, Jia-zhen YangAbstract:Amino acid ionic liquids (AAILs) [C5mim][Gly] (1-pentyl-3-methylimidazolium glycine) and [C6mim][Gly] (1-hexyl-3-methylimidazolium glycine) were prepared by the neutralization method and characterized by 1H NMR spectroscopy and differential scanning calorimetry (DSC). The values of their density, surface tension, and refractive index were measured in the temperature range of 293.15−343.15 (±0.05) K. Since the AAILs can strongly form hydrogen bonds with water, the small amounts of water are difficult to remove from the AAILs by common methods. In order to eliminate the effect of the impurity water, the standard addition method (SAM) was applied to these measurements. In terms of semiempirical method, physicochemical properties molecular volume Vm, standard molar entropy S0, Parachor P, surface tension γ, thermal expansion coefficients α, molar refraction Rm, and refractive index nD of the homologue of [Cnmim][Gly] (n = 2−6) were predicted. In comparison with the values of [C2mim][Gly] in literature, the pr...
Jaroslav Patek - One of the best experts on this subject based on the ideXlab platform.
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group contribution and Parachor analysis of experimental data on density and surface tension for members of the homologous series of 1 cn 3 methylimidazolium chlorides
Fluid Phase Equilibria, 2017Co-Authors: Monika Souckova, Jaroslav Klomfar, Jaroslav PatekAbstract:Abstract The density and surface tension values are presented that represent the best current knowledge of these properties for members of the homologous series of 1-C n -3-methylimidazolium chlorides. To identify these values, a method was used based on the consistency requirement between selected background experimental data and group contribution models of known best achievable accuracy. The models have been developed using our own and other authors' data. For this purpose 64 and 119 new experimental data on the density and surface tension, respectively, have been measured for [C 1 IM][Cl] and [C n MIM][Cl] with n = 2 , 3, 4, 6, and 10 at temperatures from (263 to 365) K and at the pressure of 0.1 MPa. The density was measured using the buoyancy method while the surface tension was measured by the Wilhelmy plate and du Nouy ring method in parallel. The respective expanded combined uncertainties at the 0.95 confidence level of the resultant means of sets of individual measurements performed at a given temperature do not exceed 1 kg ⋅ m −3 , 0.07 mN ⋅ m −1 and 1 mN ⋅ m −1 . The estimated maximum deviations of the obtained recommended values from the true density and surface tension values are 0.1 kg ⋅ m −3 and 0.15 mN ⋅ m −1 , respectively.
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surface tension and 0 1 mpa density data for 1 cn 3 methylimidazolium iodides with n 3 4 and 6 validated using a Parachor and group contribution model
The Journal of Chemical Thermodynamics, 2015Co-Authors: Monika Souckova, Jaroslav Klomfar, Jaroslav PatekAbstract:Abstract Experimental data over the temperature range from (283 to 365) K are presented on the 0.1 MPa density and (air + liquid) interfacial tension for three 1- C n -3-methylimidazolium iodides with n = 3 , 4, and 6 still poorly or even not studied in these respects at all. The reported density data were obtained using a single-sinker buoyancy method with an estimated combined expanded uncertainty at 0.95 confidence level U c = 1.0 kg · m−3 ( 7 · 10 - 4 ϱ ). The surface tension data were obtained by the Wilhelmy plate method with U c = 0.08 mN · m−1 and by du Nouy ring method with U c = 0.3 mN · m−1. The Krűss K100MK2 tensiometer was used to determine the buoyancy and surface tension forces. The density data obtained for the three studied ionic liquids match a single common group contribution model within their experimental uncertainties, which indirectly supports the data validity. Similar single common model for the surface tension data, based on the Parachor, results in two times greater average absolute relative deviation of the data than provide empirical models developed for each ionic liquid separately. For the CH2 Parachor group contribution a value of 32.8 (mN · m−1)1/4 mol · cm−3 was obtained, based on surface tension and density data for 33 ionic liquids at T = 298.15 K.
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group contribution and Parachor analysis of experimental data on densities and surface tension for six ionic liquids with the pf6 anion
Fluid Phase Equilibria, 2015Co-Authors: Jaroslav Klomfar, Monika Souckova, Jaroslav PatekAbstract:Abstract Experimental data over the temperature range from 268 to 365 K are presented on the 0.1 MPa density and surface tension for three 1-Cn-3-methylimidazolium hexafluorophosphates with n = 5, 7, and 9. In addition, experimental data on surface tension dependence on temperature are presented for hexafluorophosphates with [C3MIM], [C4MMIM] and [C4MPy] cation. For all of these ionic liquids there exists only sporadic data sets or they have not yet been studied at all in these two respects. The reported density data were obtained using a single-sinker buoyancy method. The expanded combined uncertainty at 0.95 confidence level in the density and surface tension measurements is estimated to be, respectively, from 0.3 to 0.7 kg m−3 and from 0.05 to 0.07 mN m−1. To determine the buoyancy and surface forces, the Krűss K100MK2 tensiometer was used. A group contribution model is proposed to generate recommended values of density at 0.1 MPa for 1-Cn-3-methylimidazolium hexafluorophosphates with n = 2–9 at temperatures from 273 to 365 K. The worth-case relative error of the recommended density values is estimated to 0.1%. The homologous series of the imidazolium-based hexafluorophosphates shows statistically discernible odd-even effects in the molar volume, and in enthalpy and entropy of surface formation at the level of the order of magnitude of 10−1 cm3mol−1, 100 mJ m−2 and 10−3 mJ m−2K−1, respectively.
