Solubility, Hansen solubility parameter, solvent effect and preferential solvation of benorilate in aqueous mixtures of isopropanol,
This contribution was devoted to the equilibrium solubility profile, solute–solvent and solvent–solvent interactions and solvation behavior of benorilate in aqueous binary mixtures of the cosolvent (i.e. ethanol, N-methyl-2-pyrrolidinone (NMP), isopropanol and N,N-dimethylformamide (DMF)) together w...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Gao, Qiang [verfasserIn] Zhu, Peizhi [verfasserIn] Zhao, Hongkun [verfasserIn] Farajtabar, Ali [verfasserIn] Jouyban, Abolghasem [verfasserIn] Acree, William E. [verfasserIn] |
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2021 |
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| Schlagwörter: |
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| Übergeordnetes Werk: |
Enthalten in: The journal of chemical thermodynamics - London : Academic Press, 1969, 161 |
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| Übergeordnetes Werk: |
volume:161 |
| DOI / URN: |
10.1016/j.jct.2021.106517 |
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ELV006307787 |
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| 245 | 1 | 0 | |a Solubility, Hansen solubility parameter, solvent effect and preferential solvation of benorilate in aqueous mixtures of isopropanol, |
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| 520 | |a This contribution was devoted to the equilibrium solubility profile, solute–solvent and solvent–solvent interactions and solvation behavior of benorilate in aqueous binary mixtures of the cosolvent (i.e. ethanol, N-methyl-2-pyrrolidinone (NMP), isopropanol and N,N-dimethylformamide (DMF)) together with several mathematical associations. All experiments were conducted by a shake-flask method under ambient pressure of 101.2 kPa from 278.15 to 318.15 K. The maximum scale of equilibrium benorilate solubility in neat cosolvent at T = 318.15 K; while the minimum one was observed in pure water at 278.15 K. The equilibrium benorilate solubility was analyzed by using the Hildebrand and Hansen solubility parameters. Various solubility models including Jouyban–Acree–van’t Hoff, modified Wilson, Jouyban–Acree and mixture response surface (MRS) were employed to fit the mole fraction solubility data, attaining the average relative deviations (RAD) of no more than 9.62%. The relative significance of molecular interactions of solvent–solvent and solute–solvent species upon the equilibrium solubility of benorilate at 298.15 K analyzed through the linear solvation energy relationships specified that the dominant contributions to solubility variation were observed as solubility parameter and dipolarity-polarizability of systems. The solubility data was investigated by means of the extended Hildebrand solubility approach gaining relative average deviation values of no higher than 3.71%. In terms of solution properties, a quantitative analysis on preferential solvation of benorilate was conducted by inverse Kirkwood–Buff integrals method. The preferential solvation parameters for neat cosolvent were recorded as positive in cosolvent-rich and intermediate regions in solutions, suggesting that benorilate was preferentially solvated by the cosolvents. In the above composition regions, it is conjectured that benorilate is performing as a Lewis acid with the cosolvent molecules. | ||
| 650 | 4 | |a Benorilate | |
| 650 | 4 | |a Solubility | |
| 650 | 4 | |a Preferential solvation | |
| 650 | 4 | |a Hansen solubility parameter | |
| 650 | 4 | |a Hildebrand solubility parameter | |
| 650 | 4 | |a Thermodynamic model | |
| 700 | 1 | |a Zhu, Peizhi |e verfasserin |4 aut | |
| 700 | 1 | |a Zhao, Hongkun |e verfasserin |4 aut | |
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| 700 | 1 | |a Jouyban, Abolghasem |e verfasserin |4 aut | |
| 700 | 1 | |a Acree, William E. |e verfasserin |4 aut | |
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10.1016/j.jct.2021.106517 doi (DE-627)ELV006307787 (ELSEVIER)S0021-9614(21)00131-2 DE-627 ger DE-627 rda eng 540 DE-600 35.00 bkl Gao, Qiang verfasserin aut Solubility, Hansen solubility parameter, solvent effect and preferential solvation of benorilate in aqueous mixtures of isopropanol, 2021 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier This contribution was devoted to the equilibrium solubility profile, solute–solvent and solvent–solvent interactions and solvation behavior of benorilate in aqueous binary mixtures of the cosolvent (i.e. ethanol, N-methyl-2-pyrrolidinone (NMP), isopropanol and N,N-dimethylformamide (DMF)) together with several mathematical associations. All experiments were conducted by a shake-flask method under ambient pressure of 101.2 kPa from 278.15 to 318.15 K. The maximum scale of equilibrium benorilate solubility in neat cosolvent at T = 318.15 K; while the minimum one was observed in pure water at 278.15 K. The equilibrium benorilate solubility was analyzed by using the Hildebrand and Hansen solubility parameters. Various solubility models including Jouyban–Acree–van’t Hoff, modified Wilson, Jouyban–Acree and mixture response surface (MRS) were employed to fit the mole fraction solubility data, attaining the average relative deviations (RAD) of no more than 9.62%. The relative significance of molecular interactions of solvent–solvent and solute–solvent species upon the equilibrium solubility of benorilate at 298.15 K analyzed through the linear solvation energy relationships specified that the dominant contributions to solubility variation were observed as solubility parameter and dipolarity-polarizability of systems. The solubility data was investigated by means of the extended Hildebrand solubility approach gaining relative average deviation values of no higher than 3.71%. In terms of solution properties, a quantitative analysis on preferential solvation of benorilate was conducted by inverse Kirkwood–Buff integrals method. The preferential solvation parameters for neat cosolvent were recorded as positive in cosolvent-rich and intermediate regions in solutions, suggesting that benorilate was preferentially solvated by the cosolvents. In the above composition regions, it is conjectured that benorilate is performing as a Lewis acid with the cosolvent molecules. Benorilate Solubility Preferential solvation Hansen solubility parameter Hildebrand solubility parameter Thermodynamic model Zhu, Peizhi verfasserin aut Zhao, Hongkun verfasserin aut Farajtabar, Ali verfasserin (orcid)0000-0002-5510-3782 aut Jouyban, Abolghasem verfasserin aut Acree, William E. verfasserin aut Enthalten in The journal of chemical thermodynamics London : Academic Press, 1969 161 Online-Ressource (DE-627)266891039 (DE-600)1469011-1 (DE-576)103373152 0021-9614 nnns volume:161 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 35.00 Chemie: Allgemeines AR 161 |
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10.1016/j.jct.2021.106517 doi (DE-627)ELV006307787 (ELSEVIER)S0021-9614(21)00131-2 DE-627 ger DE-627 rda eng 540 DE-600 35.00 bkl Gao, Qiang verfasserin aut Solubility, Hansen solubility parameter, solvent effect and preferential solvation of benorilate in aqueous mixtures of isopropanol, 2021 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier This contribution was devoted to the equilibrium solubility profile, solute–solvent and solvent–solvent interactions and solvation behavior of benorilate in aqueous binary mixtures of the cosolvent (i.e. ethanol, N-methyl-2-pyrrolidinone (NMP), isopropanol and N,N-dimethylformamide (DMF)) together with several mathematical associations. All experiments were conducted by a shake-flask method under ambient pressure of 101.2 kPa from 278.15 to 318.15 K. The maximum scale of equilibrium benorilate solubility in neat cosolvent at T = 318.15 K; while the minimum one was observed in pure water at 278.15 K. The equilibrium benorilate solubility was analyzed by using the Hildebrand and Hansen solubility parameters. Various solubility models including Jouyban–Acree–van’t Hoff, modified Wilson, Jouyban–Acree and mixture response surface (MRS) were employed to fit the mole fraction solubility data, attaining the average relative deviations (RAD) of no more than 9.62%. The relative significance of molecular interactions of solvent–solvent and solute–solvent species upon the equilibrium solubility of benorilate at 298.15 K analyzed through the linear solvation energy relationships specified that the dominant contributions to solubility variation were observed as solubility parameter and dipolarity-polarizability of systems. The solubility data was investigated by means of the extended Hildebrand solubility approach gaining relative average deviation values of no higher than 3.71%. In terms of solution properties, a quantitative analysis on preferential solvation of benorilate was conducted by inverse Kirkwood–Buff integrals method. The preferential solvation parameters for neat cosolvent were recorded as positive in cosolvent-rich and intermediate regions in solutions, suggesting that benorilate was preferentially solvated by the cosolvents. In the above composition regions, it is conjectured that benorilate is performing as a Lewis acid with the cosolvent molecules. Benorilate Solubility Preferential solvation Hansen solubility parameter Hildebrand solubility parameter Thermodynamic model Zhu, Peizhi verfasserin aut Zhao, Hongkun verfasserin aut Farajtabar, Ali verfasserin (orcid)0000-0002-5510-3782 aut Jouyban, Abolghasem verfasserin aut Acree, William E. verfasserin aut Enthalten in The journal of chemical thermodynamics London : Academic Press, 1969 161 Online-Ressource (DE-627)266891039 (DE-600)1469011-1 (DE-576)103373152 0021-9614 nnns volume:161 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 35.00 Chemie: Allgemeines AR 161 |
| allfields_unstemmed |
10.1016/j.jct.2021.106517 doi (DE-627)ELV006307787 (ELSEVIER)S0021-9614(21)00131-2 DE-627 ger DE-627 rda eng 540 DE-600 35.00 bkl Gao, Qiang verfasserin aut Solubility, Hansen solubility parameter, solvent effect and preferential solvation of benorilate in aqueous mixtures of isopropanol, 2021 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier This contribution was devoted to the equilibrium solubility profile, solute–solvent and solvent–solvent interactions and solvation behavior of benorilate in aqueous binary mixtures of the cosolvent (i.e. ethanol, N-methyl-2-pyrrolidinone (NMP), isopropanol and N,N-dimethylformamide (DMF)) together with several mathematical associations. All experiments were conducted by a shake-flask method under ambient pressure of 101.2 kPa from 278.15 to 318.15 K. The maximum scale of equilibrium benorilate solubility in neat cosolvent at T = 318.15 K; while the minimum one was observed in pure water at 278.15 K. The equilibrium benorilate solubility was analyzed by using the Hildebrand and Hansen solubility parameters. Various solubility models including Jouyban–Acree–van’t Hoff, modified Wilson, Jouyban–Acree and mixture response surface (MRS) were employed to fit the mole fraction solubility data, attaining the average relative deviations (RAD) of no more than 9.62%. The relative significance of molecular interactions of solvent–solvent and solute–solvent species upon the equilibrium solubility of benorilate at 298.15 K analyzed through the linear solvation energy relationships specified that the dominant contributions to solubility variation were observed as solubility parameter and dipolarity-polarizability of systems. The solubility data was investigated by means of the extended Hildebrand solubility approach gaining relative average deviation values of no higher than 3.71%. In terms of solution properties, a quantitative analysis on preferential solvation of benorilate was conducted by inverse Kirkwood–Buff integrals method. The preferential solvation parameters for neat cosolvent were recorded as positive in cosolvent-rich and intermediate regions in solutions, suggesting that benorilate was preferentially solvated by the cosolvents. In the above composition regions, it is conjectured that benorilate is performing as a Lewis acid with the cosolvent molecules. Benorilate Solubility Preferential solvation Hansen solubility parameter Hildebrand solubility parameter Thermodynamic model Zhu, Peizhi verfasserin aut Zhao, Hongkun verfasserin aut Farajtabar, Ali verfasserin (orcid)0000-0002-5510-3782 aut Jouyban, Abolghasem verfasserin aut Acree, William E. verfasserin aut Enthalten in The journal of chemical thermodynamics London : Academic Press, 1969 161 Online-Ressource (DE-627)266891039 (DE-600)1469011-1 (DE-576)103373152 0021-9614 nnns volume:161 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 35.00 Chemie: Allgemeines AR 161 |
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10.1016/j.jct.2021.106517 doi (DE-627)ELV006307787 (ELSEVIER)S0021-9614(21)00131-2 DE-627 ger DE-627 rda eng 540 DE-600 35.00 bkl Gao, Qiang verfasserin aut Solubility, Hansen solubility parameter, solvent effect and preferential solvation of benorilate in aqueous mixtures of isopropanol, 2021 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier This contribution was devoted to the equilibrium solubility profile, solute–solvent and solvent–solvent interactions and solvation behavior of benorilate in aqueous binary mixtures of the cosolvent (i.e. ethanol, N-methyl-2-pyrrolidinone (NMP), isopropanol and N,N-dimethylformamide (DMF)) together with several mathematical associations. All experiments were conducted by a shake-flask method under ambient pressure of 101.2 kPa from 278.15 to 318.15 K. The maximum scale of equilibrium benorilate solubility in neat cosolvent at T = 318.15 K; while the minimum one was observed in pure water at 278.15 K. The equilibrium benorilate solubility was analyzed by using the Hildebrand and Hansen solubility parameters. Various solubility models including Jouyban–Acree–van’t Hoff, modified Wilson, Jouyban–Acree and mixture response surface (MRS) were employed to fit the mole fraction solubility data, attaining the average relative deviations (RAD) of no more than 9.62%. The relative significance of molecular interactions of solvent–solvent and solute–solvent species upon the equilibrium solubility of benorilate at 298.15 K analyzed through the linear solvation energy relationships specified that the dominant contributions to solubility variation were observed as solubility parameter and dipolarity-polarizability of systems. The solubility data was investigated by means of the extended Hildebrand solubility approach gaining relative average deviation values of no higher than 3.71%. In terms of solution properties, a quantitative analysis on preferential solvation of benorilate was conducted by inverse Kirkwood–Buff integrals method. The preferential solvation parameters for neat cosolvent were recorded as positive in cosolvent-rich and intermediate regions in solutions, suggesting that benorilate was preferentially solvated by the cosolvents. In the above composition regions, it is conjectured that benorilate is performing as a Lewis acid with the cosolvent molecules. Benorilate Solubility Preferential solvation Hansen solubility parameter Hildebrand solubility parameter Thermodynamic model Zhu, Peizhi verfasserin aut Zhao, Hongkun verfasserin aut Farajtabar, Ali verfasserin (orcid)0000-0002-5510-3782 aut Jouyban, Abolghasem verfasserin aut Acree, William E. verfasserin aut Enthalten in The journal of chemical thermodynamics London : Academic Press, 1969 161 Online-Ressource (DE-627)266891039 (DE-600)1469011-1 (DE-576)103373152 0021-9614 nnns volume:161 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 35.00 Chemie: Allgemeines AR 161 |
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10.1016/j.jct.2021.106517 doi (DE-627)ELV006307787 (ELSEVIER)S0021-9614(21)00131-2 DE-627 ger DE-627 rda eng 540 DE-600 35.00 bkl Gao, Qiang verfasserin aut Solubility, Hansen solubility parameter, solvent effect and preferential solvation of benorilate in aqueous mixtures of isopropanol, 2021 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier This contribution was devoted to the equilibrium solubility profile, solute–solvent and solvent–solvent interactions and solvation behavior of benorilate in aqueous binary mixtures of the cosolvent (i.e. ethanol, N-methyl-2-pyrrolidinone (NMP), isopropanol and N,N-dimethylformamide (DMF)) together with several mathematical associations. All experiments were conducted by a shake-flask method under ambient pressure of 101.2 kPa from 278.15 to 318.15 K. The maximum scale of equilibrium benorilate solubility in neat cosolvent at T = 318.15 K; while the minimum one was observed in pure water at 278.15 K. The equilibrium benorilate solubility was analyzed by using the Hildebrand and Hansen solubility parameters. Various solubility models including Jouyban–Acree–van’t Hoff, modified Wilson, Jouyban–Acree and mixture response surface (MRS) were employed to fit the mole fraction solubility data, attaining the average relative deviations (RAD) of no more than 9.62%. The relative significance of molecular interactions of solvent–solvent and solute–solvent species upon the equilibrium solubility of benorilate at 298.15 K analyzed through the linear solvation energy relationships specified that the dominant contributions to solubility variation were observed as solubility parameter and dipolarity-polarizability of systems. The solubility data was investigated by means of the extended Hildebrand solubility approach gaining relative average deviation values of no higher than 3.71%. In terms of solution properties, a quantitative analysis on preferential solvation of benorilate was conducted by inverse Kirkwood–Buff integrals method. The preferential solvation parameters for neat cosolvent were recorded as positive in cosolvent-rich and intermediate regions in solutions, suggesting that benorilate was preferentially solvated by the cosolvents. In the above composition regions, it is conjectured that benorilate is performing as a Lewis acid with the cosolvent molecules. Benorilate Solubility Preferential solvation Hansen solubility parameter Hildebrand solubility parameter Thermodynamic model Zhu, Peizhi verfasserin aut Zhao, Hongkun verfasserin aut Farajtabar, Ali verfasserin (orcid)0000-0002-5510-3782 aut Jouyban, Abolghasem verfasserin aut Acree, William E. verfasserin aut Enthalten in The journal of chemical thermodynamics London : Academic Press, 1969 161 Online-Ressource (DE-627)266891039 (DE-600)1469011-1 (DE-576)103373152 0021-9614 nnns volume:161 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 35.00 Chemie: Allgemeines AR 161 |
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Gao, Qiang @@aut@@ Zhu, Peizhi @@aut@@ Zhao, Hongkun @@aut@@ Farajtabar, Ali @@aut@@ Jouyban, Abolghasem @@aut@@ Acree, William E. @@aut@@ |
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Gao, Qiang |
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Gao, Qiang ddc 540 bkl 35.00 misc Benorilate misc Solubility misc Preferential solvation misc Hansen solubility parameter misc Hildebrand solubility parameter misc Thermodynamic model Solubility, Hansen solubility parameter, solvent effect and preferential solvation of benorilate in aqueous mixtures of isopropanol, |
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540 DE-600 35.00 bkl Solubility, Hansen solubility parameter, solvent effect and preferential solvation of benorilate in aqueous mixtures of isopropanol Benorilate Solubility Preferential solvation Hansen solubility parameter Hildebrand solubility parameter Thermodynamic model |
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Solubility, Hansen solubility parameter, solvent effect and preferential solvation of benorilate in aqueous mixtures of isopropanol, |
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Solubility, Hansen solubility parameter, solvent effect and preferential solvation of benorilate in aqueous mixtures of isopropanol |
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Gao, Qiang Zhu, Peizhi Zhao, Hongkun Farajtabar, Ali Jouyban, Abolghasem Acree, William E. |
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solubility, hansen solubility parameter, solvent effect and preferential solvation of benorilate in aqueous mixtures of isopropanol |
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Solubility, Hansen solubility parameter, solvent effect and preferential solvation of benorilate in aqueous mixtures of isopropanol, |
| abstract |
This contribution was devoted to the equilibrium solubility profile, solute–solvent and solvent–solvent interactions and solvation behavior of benorilate in aqueous binary mixtures of the cosolvent (i.e. ethanol, N-methyl-2-pyrrolidinone (NMP), isopropanol and N,N-dimethylformamide (DMF)) together with several mathematical associations. All experiments were conducted by a shake-flask method under ambient pressure of 101.2 kPa from 278.15 to 318.15 K. The maximum scale of equilibrium benorilate solubility in neat cosolvent at T = 318.15 K; while the minimum one was observed in pure water at 278.15 K. The equilibrium benorilate solubility was analyzed by using the Hildebrand and Hansen solubility parameters. Various solubility models including Jouyban–Acree–van’t Hoff, modified Wilson, Jouyban–Acree and mixture response surface (MRS) were employed to fit the mole fraction solubility data, attaining the average relative deviations (RAD) of no more than 9.62%. The relative significance of molecular interactions of solvent–solvent and solute–solvent species upon the equilibrium solubility of benorilate at 298.15 K analyzed through the linear solvation energy relationships specified that the dominant contributions to solubility variation were observed as solubility parameter and dipolarity-polarizability of systems. The solubility data was investigated by means of the extended Hildebrand solubility approach gaining relative average deviation values of no higher than 3.71%. In terms of solution properties, a quantitative analysis on preferential solvation of benorilate was conducted by inverse Kirkwood–Buff integrals method. The preferential solvation parameters for neat cosolvent were recorded as positive in cosolvent-rich and intermediate regions in solutions, suggesting that benorilate was preferentially solvated by the cosolvents. In the above composition regions, it is conjectured that benorilate is performing as a Lewis acid with the cosolvent molecules. |
| abstractGer |
This contribution was devoted to the equilibrium solubility profile, solute–solvent and solvent–solvent interactions and solvation behavior of benorilate in aqueous binary mixtures of the cosolvent (i.e. ethanol, N-methyl-2-pyrrolidinone (NMP), isopropanol and N,N-dimethylformamide (DMF)) together with several mathematical associations. All experiments were conducted by a shake-flask method under ambient pressure of 101.2 kPa from 278.15 to 318.15 K. The maximum scale of equilibrium benorilate solubility in neat cosolvent at T = 318.15 K; while the minimum one was observed in pure water at 278.15 K. The equilibrium benorilate solubility was analyzed by using the Hildebrand and Hansen solubility parameters. Various solubility models including Jouyban–Acree–van’t Hoff, modified Wilson, Jouyban–Acree and mixture response surface (MRS) were employed to fit the mole fraction solubility data, attaining the average relative deviations (RAD) of no more than 9.62%. The relative significance of molecular interactions of solvent–solvent and solute–solvent species upon the equilibrium solubility of benorilate at 298.15 K analyzed through the linear solvation energy relationships specified that the dominant contributions to solubility variation were observed as solubility parameter and dipolarity-polarizability of systems. The solubility data was investigated by means of the extended Hildebrand solubility approach gaining relative average deviation values of no higher than 3.71%. In terms of solution properties, a quantitative analysis on preferential solvation of benorilate was conducted by inverse Kirkwood–Buff integrals method. The preferential solvation parameters for neat cosolvent were recorded as positive in cosolvent-rich and intermediate regions in solutions, suggesting that benorilate was preferentially solvated by the cosolvents. In the above composition regions, it is conjectured that benorilate is performing as a Lewis acid with the cosolvent molecules. |
| abstract_unstemmed |
This contribution was devoted to the equilibrium solubility profile, solute–solvent and solvent–solvent interactions and solvation behavior of benorilate in aqueous binary mixtures of the cosolvent (i.e. ethanol, N-methyl-2-pyrrolidinone (NMP), isopropanol and N,N-dimethylformamide (DMF)) together with several mathematical associations. All experiments were conducted by a shake-flask method under ambient pressure of 101.2 kPa from 278.15 to 318.15 K. The maximum scale of equilibrium benorilate solubility in neat cosolvent at T = 318.15 K; while the minimum one was observed in pure water at 278.15 K. The equilibrium benorilate solubility was analyzed by using the Hildebrand and Hansen solubility parameters. Various solubility models including Jouyban–Acree–van’t Hoff, modified Wilson, Jouyban–Acree and mixture response surface (MRS) were employed to fit the mole fraction solubility data, attaining the average relative deviations (RAD) of no more than 9.62%. The relative significance of molecular interactions of solvent–solvent and solute–solvent species upon the equilibrium solubility of benorilate at 298.15 K analyzed through the linear solvation energy relationships specified that the dominant contributions to solubility variation were observed as solubility parameter and dipolarity-polarizability of systems. The solubility data was investigated by means of the extended Hildebrand solubility approach gaining relative average deviation values of no higher than 3.71%. In terms of solution properties, a quantitative analysis on preferential solvation of benorilate was conducted by inverse Kirkwood–Buff integrals method. The preferential solvation parameters for neat cosolvent were recorded as positive in cosolvent-rich and intermediate regions in solutions, suggesting that benorilate was preferentially solvated by the cosolvents. In the above composition regions, it is conjectured that benorilate is performing as a Lewis acid with the cosolvent molecules. |
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|
| score |
7.401515 |