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Tao Li - One of the best experts on this subject based on the ideXlab platform.
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equilibrium Solubility of exo 5 6 dehydronorcantharidin in thirteen pure solvents determination correlation Hansen Solubility Parameter and thermodynamic properties
Journal of Molecular Liquids, 2020Co-Authors: Haixia He, Gaoliang Jiang, Yu Li, Tao LiAbstract:Abstract This research was focusing on determining the solid-liquid equilibrium Solubility of exo-3,6-epoxy-1,2,3,6-tetrahydrophthalic acid anhydride (exo-5,6-dehydronorcantharidin) in thirteen mono-solvents by using laser monitoring approach at diverse temperature and pressure “p = 0.1 MPa”. The results showed that the Solubility data of exo-5,6-dehydronorcantharidin in all solvents was positively correlated with experimental temperature. Besides, the mole-fraction Solubility values of exo-5,6-dehydronorcantharidin in all considered solvents at “T = 298.15 K” were found maximum in N-methyl-2-pyrrolidinone (0.184) followed by N,N-Dimethylformamide (0.150), acetone (0.0629), acetonitrile (0.0508), methyl acetate (0.0420), 1,4-dioxane (0.0342), ethyl acetate (0.0275), n-propyl acetate (0.0210), isopropyl acetate (0.0191), butyl acetate (0.0172), isobutyl acetate (0.0165), amyl acetate (0.0137) and isoamyl acetate (0.0129). The polarity and Hansen Solubility Parameter of studied solvents were employed to reveal the affinity and Solubility order of exo-5,6-dehydronorcantharidin, and the results indicated that the miscibility between solute and solvent relied on comprehensive effects of multiple factors. Moreover, the obtained Solubility data was correlated with Wilson, NRTL, UNIQUAC and NRTL-SAC model. The correlation results showed that the UNIQUAC model can provide the best fitting effect with lower values of average relative deviation (ARD) and root-mean square deviation (RMSD). Finally, thermodynamic mixing and dissolution properties of exo-5,6-dehydronorcantharidin in thirteen neat solvents were calculated based on UNIQUAC model as well as experimental values.
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equilibrium Solubility thermodynamic properties and Hansen Solubility Parameter of n hydroxy 5 norbornene 2 3 dicarboximide in ethyl acetate 2 methoxyethanol methanol and 1 4 dioxane at various temperatures
Journal of Molecular Liquids, 2020Co-Authors: Haixia He, Gaoliang Jiang, Yu Li, Tao LiAbstract:Abstract Solubility of N-hydroxy-5-norbornene-2,3-dicarboximide (HONB) in three mixed solvents of ethyl acetate + (2-methoxyethanol, methanol and 1,4-dioxane) was investigated within 278.15 K–323.15 K under 0.1 MPa. The Solubility profiles indicated that the HONB Solubility in measured solvents was proportional to the increment of test temperature and mass fraction of positive solvent (2-methoxyethanol, methanol or 1,4-dioxane). The mole fraction Solubility of HONB varied significantly from 0.0115 in ethyl acetate + 1,4-dioxane (w1 = 0.2066, 278.15 K) to 0.1788 in ethyl acetate + 2-methoxyethanol (w1 = 0.7993, 323.15 K). Hansen Solubility Parameter was applied to reveal the miscibility and Solubility order of HONB in mixed solvents, and the consequences indicated that Solubility behaviors of HONB were the result of various Solubility Parameters comprehensive action. The measured HONB Solubility employing laser monitoring technique was correlated with four activity coefficient models (Three-Suffix Margules, NRTL, UNIQUAC and Wilson) in combination with a semi-empirical model (Modified Apelblat). The smallest average values of average relative deviation (ARD) and root-mean square deviation (104 RMSD) were obtained from Wilson (0.66%) and Modified Apelblat model (6.02), verifying that these two models provided more satisfactory agreement and correlation than other three models. Furthermore, the thermodynamic Parameters (ΔmixH, ΔmixG and ΔmixS) of the mixing process in different solvents were computed based on measured Solubility values and equation Parameters of Wilson model. The results demonstrated that the mixing process was entropy-driven and spontaneous. These Solubility data and thermodynamic Parameters could not merely extend database of HONB, but provide basic guidance for optimizing crystallization and purification process.
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Solubility thermodynamic modeling and Hansen Solubility Parameter of 5 norbornene 2 3 dicarboximide in three binary solvents methanol ethanol ethyl acetate dmf from 278 15 k to 323 15 k
Journal of Molecular Liquids, 2020Co-Authors: Haixia He, Zibo Huang, Pengshuai Zhang, Tao LiAbstract:Abstract In this work, Solubility of 5-norbornene-2,3-dicarboximide (NODI) in three binary solvents (DMF + methanol, ethanol, ethyl acetate) was experimentally investigated by using laser monitoring technique at (278.15 to 323.15) K under 0.1 MPa. Solubility data of NODI increased as the temperature increased while reduced with the decreasing mass fraction of DMF. Hansen Solubility Parameter was employed to reveal the Solubility behavior of NODI. Experimental Solubility data was correlated by five thermodynamic models including NRTL, Wilson, uniquac, Margules and Jouyban-Acree-modified Apelblat (J-A-A) model. The Wilson, Margules, and uniquac model were more suitable to correlate NODI Solubility than others. Besides, thermodynamic properties of mixing process (ΔmixG, ΔmixS, ΔmixH, H1E,∞, lnγ1 and lnγ1∞) were investigated based on Solubility data and the Wilson equation. Mixing processes of NODI in three binary solvents were entropy-driven.
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thermodynamic modelling and Hansen Solubility Parameter of n hydroxy 5 norbornene 2 3 dicarboximide in twelve pure solvents at various temperatures
Journal of Molecular Liquids, 2020Co-Authors: Haixia He, Yu Li, Pengshuai Zhang, Tao LiAbstract:Abstract Solubility of N-hydroxy-5-norbornene-2,3-dicarboximide (HONB) in methanol, ethanol, n-propanol, isopropanol, 2-methoxyethanol, 2-propoxyethanol, 2-ethoxyethanol, 2-butoxyethanol, acetonitrile, ethyl acetate, acetone at (278.15–323.15) K and 1,4-dioxane at (288.15–323.15) K was determined with a laser monitoring method at pressure of 0.1 MPa. The experimental results indicated that Solubility of HONB increased positively with the increase of temperature in selected neat solvents. At 298.15 K, Solubility data in studied solvents followed the sequence of 2-methoxyethanol (0.1412) > methanol (0.1108) > 2-ethoxyethanol (0.1007) > 1,4-dioxane (0.0963) > 2-propoxyethanol (0.0718) > 2-butoxyethanol (0.0601) > ethanol (0.0592) > acetone (0.0520) > isopropanol (0.0402) > n-propanol (0.0401) > acetonitrile (0.0298) > ethyl acetate (0.0156). The Solubility behaviors of HONB in investigated solvents were analyzed by Hansen Solubility Parameter (Δδd, Δδp, Δδh, Δδt and Δδ), the consequences showed that Solubility order of HONB resulted from the comprehensive function of several Solubility Parameters. Experimental Solubility values were correlated with five thermodynamic models including Nonrandom Two-Liquids (NRTL), Two-Suffix Margules, Universal Quasi-chemical (UNIQUAC), Nonrandom Two-Liquid Segment Activity Coefficient (NRTL-SAC) and Wilson model. Results showed that the smallest average values of average relative deviation (ARD) and root-mean square deviation (104RMSD) were obtained by Wilson model with values of 1.06% and 8.73. Moreover, mixing properties (mixing enthalpy ΔmixH, entropy ΔmixS, Gibbs energy ΔmixG) were evaluated based on measured Solubility and equation Parameters of Wilson model. The positive values of ΔmixS and negative values of ΔmixG revealed that mixing process of HONB in considered solvents was entropy-driven and spontaneous.
Haixia He - One of the best experts on this subject based on the ideXlab platform.
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equilibrium Solubility of exo 5 6 dehydronorcantharidin in thirteen pure solvents determination correlation Hansen Solubility Parameter and thermodynamic properties
Journal of Molecular Liquids, 2020Co-Authors: Haixia He, Gaoliang Jiang, Yu Li, Tao LiAbstract:Abstract This research was focusing on determining the solid-liquid equilibrium Solubility of exo-3,6-epoxy-1,2,3,6-tetrahydrophthalic acid anhydride (exo-5,6-dehydronorcantharidin) in thirteen mono-solvents by using laser monitoring approach at diverse temperature and pressure “p = 0.1 MPa”. The results showed that the Solubility data of exo-5,6-dehydronorcantharidin in all solvents was positively correlated with experimental temperature. Besides, the mole-fraction Solubility values of exo-5,6-dehydronorcantharidin in all considered solvents at “T = 298.15 K” were found maximum in N-methyl-2-pyrrolidinone (0.184) followed by N,N-Dimethylformamide (0.150), acetone (0.0629), acetonitrile (0.0508), methyl acetate (0.0420), 1,4-dioxane (0.0342), ethyl acetate (0.0275), n-propyl acetate (0.0210), isopropyl acetate (0.0191), butyl acetate (0.0172), isobutyl acetate (0.0165), amyl acetate (0.0137) and isoamyl acetate (0.0129). The polarity and Hansen Solubility Parameter of studied solvents were employed to reveal the affinity and Solubility order of exo-5,6-dehydronorcantharidin, and the results indicated that the miscibility between solute and solvent relied on comprehensive effects of multiple factors. Moreover, the obtained Solubility data was correlated with Wilson, NRTL, UNIQUAC and NRTL-SAC model. The correlation results showed that the UNIQUAC model can provide the best fitting effect with lower values of average relative deviation (ARD) and root-mean square deviation (RMSD). Finally, thermodynamic mixing and dissolution properties of exo-5,6-dehydronorcantharidin in thirteen neat solvents were calculated based on UNIQUAC model as well as experimental values.
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equilibrium Solubility thermodynamic properties and Hansen Solubility Parameter of n hydroxy 5 norbornene 2 3 dicarboximide in ethyl acetate 2 methoxyethanol methanol and 1 4 dioxane at various temperatures
Journal of Molecular Liquids, 2020Co-Authors: Haixia He, Gaoliang Jiang, Yu Li, Tao LiAbstract:Abstract Solubility of N-hydroxy-5-norbornene-2,3-dicarboximide (HONB) in three mixed solvents of ethyl acetate + (2-methoxyethanol, methanol and 1,4-dioxane) was investigated within 278.15 K–323.15 K under 0.1 MPa. The Solubility profiles indicated that the HONB Solubility in measured solvents was proportional to the increment of test temperature and mass fraction of positive solvent (2-methoxyethanol, methanol or 1,4-dioxane). The mole fraction Solubility of HONB varied significantly from 0.0115 in ethyl acetate + 1,4-dioxane (w1 = 0.2066, 278.15 K) to 0.1788 in ethyl acetate + 2-methoxyethanol (w1 = 0.7993, 323.15 K). Hansen Solubility Parameter was applied to reveal the miscibility and Solubility order of HONB in mixed solvents, and the consequences indicated that Solubility behaviors of HONB were the result of various Solubility Parameters comprehensive action. The measured HONB Solubility employing laser monitoring technique was correlated with four activity coefficient models (Three-Suffix Margules, NRTL, UNIQUAC and Wilson) in combination with a semi-empirical model (Modified Apelblat). The smallest average values of average relative deviation (ARD) and root-mean square deviation (104 RMSD) were obtained from Wilson (0.66%) and Modified Apelblat model (6.02), verifying that these two models provided more satisfactory agreement and correlation than other three models. Furthermore, the thermodynamic Parameters (ΔmixH, ΔmixG and ΔmixS) of the mixing process in different solvents were computed based on measured Solubility values and equation Parameters of Wilson model. The results demonstrated that the mixing process was entropy-driven and spontaneous. These Solubility data and thermodynamic Parameters could not merely extend database of HONB, but provide basic guidance for optimizing crystallization and purification process.
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Solubility thermodynamic modeling and Hansen Solubility Parameter of 5 norbornene 2 3 dicarboximide in three binary solvents methanol ethanol ethyl acetate dmf from 278 15 k to 323 15 k
Journal of Molecular Liquids, 2020Co-Authors: Haixia He, Zibo Huang, Pengshuai Zhang, Tao LiAbstract:Abstract In this work, Solubility of 5-norbornene-2,3-dicarboximide (NODI) in three binary solvents (DMF + methanol, ethanol, ethyl acetate) was experimentally investigated by using laser monitoring technique at (278.15 to 323.15) K under 0.1 MPa. Solubility data of NODI increased as the temperature increased while reduced with the decreasing mass fraction of DMF. Hansen Solubility Parameter was employed to reveal the Solubility behavior of NODI. Experimental Solubility data was correlated by five thermodynamic models including NRTL, Wilson, uniquac, Margules and Jouyban-Acree-modified Apelblat (J-A-A) model. The Wilson, Margules, and uniquac model were more suitable to correlate NODI Solubility than others. Besides, thermodynamic properties of mixing process (ΔmixG, ΔmixS, ΔmixH, H1E,∞, lnγ1 and lnγ1∞) were investigated based on Solubility data and the Wilson equation. Mixing processes of NODI in three binary solvents were entropy-driven.
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thermodynamic modelling and Hansen Solubility Parameter of n hydroxy 5 norbornene 2 3 dicarboximide in twelve pure solvents at various temperatures
Journal of Molecular Liquids, 2020Co-Authors: Haixia He, Yu Li, Pengshuai Zhang, Tao LiAbstract:Abstract Solubility of N-hydroxy-5-norbornene-2,3-dicarboximide (HONB) in methanol, ethanol, n-propanol, isopropanol, 2-methoxyethanol, 2-propoxyethanol, 2-ethoxyethanol, 2-butoxyethanol, acetonitrile, ethyl acetate, acetone at (278.15–323.15) K and 1,4-dioxane at (288.15–323.15) K was determined with a laser monitoring method at pressure of 0.1 MPa. The experimental results indicated that Solubility of HONB increased positively with the increase of temperature in selected neat solvents. At 298.15 K, Solubility data in studied solvents followed the sequence of 2-methoxyethanol (0.1412) > methanol (0.1108) > 2-ethoxyethanol (0.1007) > 1,4-dioxane (0.0963) > 2-propoxyethanol (0.0718) > 2-butoxyethanol (0.0601) > ethanol (0.0592) > acetone (0.0520) > isopropanol (0.0402) > n-propanol (0.0401) > acetonitrile (0.0298) > ethyl acetate (0.0156). The Solubility behaviors of HONB in investigated solvents were analyzed by Hansen Solubility Parameter (Δδd, Δδp, Δδh, Δδt and Δδ), the consequences showed that Solubility order of HONB resulted from the comprehensive function of several Solubility Parameters. Experimental Solubility values were correlated with five thermodynamic models including Nonrandom Two-Liquids (NRTL), Two-Suffix Margules, Universal Quasi-chemical (UNIQUAC), Nonrandom Two-Liquid Segment Activity Coefficient (NRTL-SAC) and Wilson model. Results showed that the smallest average values of average relative deviation (ARD) and root-mean square deviation (104RMSD) were obtained by Wilson model with values of 1.06% and 8.73. Moreover, mixing properties (mixing enthalpy ΔmixH, entropy ΔmixS, Gibbs energy ΔmixG) were evaluated based on measured Solubility and equation Parameters of Wilson model. The positive values of ΔmixS and negative values of ΔmixG revealed that mixing process of HONB in considered solvents was entropy-driven and spontaneous.
Gabriel Ovejero - One of the best experts on this subject based on the ideXlab platform.
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Hansen Solubility Parameter from polyethylene and poly vinyl acetate homopolymers to ethylene vinyl acetate copolymers
Polymer International, 2017Co-Authors: Javier Camacho, Eduardo Díez, Ismael Díaz, Gabriel OvejeroAbstract:The Hansen Solubility Parameters (HSPs) of two ethylene–vinyl acetate (EVA) copolymers (with 18 and 33 wt% of vinyl acetate) and their corresponding homopolymers (polyethylene, PE, and poly(vinyl acetate), PVAc) have been studied at various temperatures, employing the previously obtained Flory–Huggins Parameters. From these latter values, a procedure based on the Hansen Solubility spheres theory was employed to determine the HSPs, as well as the radius of interaction. The procedure was validated with literature data, with deviations of around 3%. The HSP values (dispersion, polar and association terms, respectively, all in MPa1/2) at 333.15 K are 14.84, −3.88 and 1.78 for PE, 17.65, −1.24 and 2.76 for EVA410 (with 18 wt% of vinyl acetate), 17.52, 0.15 and 3.61 for EVA460 (with 33 wt% of vinyl acetate) and 19.45, 10.59 and 5.76 for PVAc. The main characteristic of the obtained HSP values is that the high polar term of PVAc tends to increase the Solubility character of the pure PE, and thus the EVA copolymers, allowing them to solubilize dispersion and polar compounds. Finally, it was also demonstrated that it is possible to predict the HSPs of EVA copolymers using the vinyl acetate content and the HSPs of pure PE and PVAc as input data. © 2017 Society of Chemical Industry
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Hansen Solubility Parameter: from polyethylene and poly(vinyl acetate) homopolymers to ethylene–vinyl acetate copolymers
Polymer International, 2017Co-Authors: Javier Camacho, Eduardo Díez, Ismael Díaz, Gabriel OvejeroAbstract:The Hansen Solubility Parameters (HSPs) of two ethylene–vinyl acetate (EVA) copolymers (with 18 and 33 wt% of vinyl acetate) and their corresponding homopolymers (polyethylene, PE, and poly(vinyl acetate), PVAc) have been studied at various temperatures, employing the previously obtained Flory–Huggins Parameters. From these latter values, a procedure based on the Hansen Solubility spheres theory was employed to determine the HSPs, as well as the radius of interaction. The procedure was validated with literature data, with deviations of around 3%. The HSP values (dispersion, polar and association terms, respectively, all in MPa1/2) at 333.15 K are 14.84, −3.88 and 1.78 for PE, 17.65, −1.24 and 2.76 for EVA410 (with 18 wt% of vinyl acetate), 17.52, 0.15 and 3.61 for EVA460 (with 33 wt% of vinyl acetate) and 19.45, 10.59 and 5.76 for PVAc. The main characteristic of the obtained HSP values is that the high polar term of PVAc tends to increase the Solubility character of the pure PE, and thus the EVA copolymers, allowing them to solubilize dispersion and polar compounds. Finally, it was also demonstrated that it is possible to predict the HSPs of EVA copolymers using the vinyl acetate content and the HSPs of pure PE and PVAc as input data. © 2017 Society of Chemical Industry
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Hansen Solubility Parameter: From polyethylene and polyvinylacetate homopolymers to eva copolymers
Polymer International, 2017Co-Authors: Javier Camacho, Eduardo Díez, Ismael Díaz, Gabriel OvejeroAbstract:The Hansen Solubility Parameters (HSPs) of two ethylene–vinyl acetate (EVA) copolymers (with 18 and 33 wt% of vinyl acetate) and their corresponding homopolymers (polyethylene, PE, and poly(vinyl acetate), PVAc) have been studied at various temperatures, employing the previously obtained Flory–Huggins Parameters. From these latter values, a procedure based on the Hansen Solubility spheres theory was employed to determine the HSPs, as well as the radius of interaction. The procedure was validated with literature data, with deviations of around 3%. The HSP values (dispersion, polar and association terms, respectively, all in MPa1/2) at 333.15 K are 14.84, −3.88 and 1.78 for PE, 17.65, −1.24 and 2.76 for EVA410 (with 18 wt% of vinyl acetate), 17.52, 0.15 and 3.61 for EVA460 (with 33 wt% of vinyl acetate) and 19.45, 10.59 and 5.76 for PVAc. The main characteristic of the obtained HSP values is that the high polar term of PVAc tends to increase the Solubility character of the pure PE, and thus the EVA copolymers, allowing them to solubilize dispersion and polar compounds. Finally, it was also demonstrated that it is possible to predict the HSPs of EVA copolymers using the vinyl acetate content and the HSPs of pure PE and PVAc as input data. © 2017 Society of Chemical Industry
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turbidimetric and intrinsic viscosity study of eva copolymer solvent systems
Polymer Bulletin, 2014Co-Authors: Eduardo Díez, Javier Camacho, Ismael Díaz, Gabriel OvejeroAbstract:Both Hansen Solubility Parameter and Flory–Huggins interaction Parameter of two EVA [Poly(ethylene-co-vinyl acetate)] copolymers with different vinyl acetate content have been obtained by means of intrinsic viscosity measurements. To calculate this last Parameter it was also necessary to determine the theta solvent at different temperatures of the two EVA copolymers with turbidimetric measurements. The results indicate that the vinyl acetate content is a variable which influences the composition of the theta solvent and Flory–Huggins Parameter (the higher the vinyl acetate content, the lower the Flory–Huggins Parameter), although its influence over the Hansen Solubility Parameter is almost negligible.
Yu Li - One of the best experts on this subject based on the ideXlab platform.
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equilibrium Solubility of exo 5 6 dehydronorcantharidin in thirteen pure solvents determination correlation Hansen Solubility Parameter and thermodynamic properties
Journal of Molecular Liquids, 2020Co-Authors: Haixia He, Gaoliang Jiang, Yu Li, Tao LiAbstract:Abstract This research was focusing on determining the solid-liquid equilibrium Solubility of exo-3,6-epoxy-1,2,3,6-tetrahydrophthalic acid anhydride (exo-5,6-dehydronorcantharidin) in thirteen mono-solvents by using laser monitoring approach at diverse temperature and pressure “p = 0.1 MPa”. The results showed that the Solubility data of exo-5,6-dehydronorcantharidin in all solvents was positively correlated with experimental temperature. Besides, the mole-fraction Solubility values of exo-5,6-dehydronorcantharidin in all considered solvents at “T = 298.15 K” were found maximum in N-methyl-2-pyrrolidinone (0.184) followed by N,N-Dimethylformamide (0.150), acetone (0.0629), acetonitrile (0.0508), methyl acetate (0.0420), 1,4-dioxane (0.0342), ethyl acetate (0.0275), n-propyl acetate (0.0210), isopropyl acetate (0.0191), butyl acetate (0.0172), isobutyl acetate (0.0165), amyl acetate (0.0137) and isoamyl acetate (0.0129). The polarity and Hansen Solubility Parameter of studied solvents were employed to reveal the affinity and Solubility order of exo-5,6-dehydronorcantharidin, and the results indicated that the miscibility between solute and solvent relied on comprehensive effects of multiple factors. Moreover, the obtained Solubility data was correlated with Wilson, NRTL, UNIQUAC and NRTL-SAC model. The correlation results showed that the UNIQUAC model can provide the best fitting effect with lower values of average relative deviation (ARD) and root-mean square deviation (RMSD). Finally, thermodynamic mixing and dissolution properties of exo-5,6-dehydronorcantharidin in thirteen neat solvents were calculated based on UNIQUAC model as well as experimental values.
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equilibrium Solubility thermodynamic properties and Hansen Solubility Parameter of n hydroxy 5 norbornene 2 3 dicarboximide in ethyl acetate 2 methoxyethanol methanol and 1 4 dioxane at various temperatures
Journal of Molecular Liquids, 2020Co-Authors: Haixia He, Gaoliang Jiang, Yu Li, Tao LiAbstract:Abstract Solubility of N-hydroxy-5-norbornene-2,3-dicarboximide (HONB) in three mixed solvents of ethyl acetate + (2-methoxyethanol, methanol and 1,4-dioxane) was investigated within 278.15 K–323.15 K under 0.1 MPa. The Solubility profiles indicated that the HONB Solubility in measured solvents was proportional to the increment of test temperature and mass fraction of positive solvent (2-methoxyethanol, methanol or 1,4-dioxane). The mole fraction Solubility of HONB varied significantly from 0.0115 in ethyl acetate + 1,4-dioxane (w1 = 0.2066, 278.15 K) to 0.1788 in ethyl acetate + 2-methoxyethanol (w1 = 0.7993, 323.15 K). Hansen Solubility Parameter was applied to reveal the miscibility and Solubility order of HONB in mixed solvents, and the consequences indicated that Solubility behaviors of HONB were the result of various Solubility Parameters comprehensive action. The measured HONB Solubility employing laser monitoring technique was correlated with four activity coefficient models (Three-Suffix Margules, NRTL, UNIQUAC and Wilson) in combination with a semi-empirical model (Modified Apelblat). The smallest average values of average relative deviation (ARD) and root-mean square deviation (104 RMSD) were obtained from Wilson (0.66%) and Modified Apelblat model (6.02), verifying that these two models provided more satisfactory agreement and correlation than other three models. Furthermore, the thermodynamic Parameters (ΔmixH, ΔmixG and ΔmixS) of the mixing process in different solvents were computed based on measured Solubility values and equation Parameters of Wilson model. The results demonstrated that the mixing process was entropy-driven and spontaneous. These Solubility data and thermodynamic Parameters could not merely extend database of HONB, but provide basic guidance for optimizing crystallization and purification process.
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thermodynamic modelling and Hansen Solubility Parameter of n hydroxy 5 norbornene 2 3 dicarboximide in twelve pure solvents at various temperatures
Journal of Molecular Liquids, 2020Co-Authors: Haixia He, Yu Li, Pengshuai Zhang, Tao LiAbstract:Abstract Solubility of N-hydroxy-5-norbornene-2,3-dicarboximide (HONB) in methanol, ethanol, n-propanol, isopropanol, 2-methoxyethanol, 2-propoxyethanol, 2-ethoxyethanol, 2-butoxyethanol, acetonitrile, ethyl acetate, acetone at (278.15–323.15) K and 1,4-dioxane at (288.15–323.15) K was determined with a laser monitoring method at pressure of 0.1 MPa. The experimental results indicated that Solubility of HONB increased positively with the increase of temperature in selected neat solvents. At 298.15 K, Solubility data in studied solvents followed the sequence of 2-methoxyethanol (0.1412) > methanol (0.1108) > 2-ethoxyethanol (0.1007) > 1,4-dioxane (0.0963) > 2-propoxyethanol (0.0718) > 2-butoxyethanol (0.0601) > ethanol (0.0592) > acetone (0.0520) > isopropanol (0.0402) > n-propanol (0.0401) > acetonitrile (0.0298) > ethyl acetate (0.0156). The Solubility behaviors of HONB in investigated solvents were analyzed by Hansen Solubility Parameter (Δδd, Δδp, Δδh, Δδt and Δδ), the consequences showed that Solubility order of HONB resulted from the comprehensive function of several Solubility Parameters. Experimental Solubility values were correlated with five thermodynamic models including Nonrandom Two-Liquids (NRTL), Two-Suffix Margules, Universal Quasi-chemical (UNIQUAC), Nonrandom Two-Liquid Segment Activity Coefficient (NRTL-SAC) and Wilson model. Results showed that the smallest average values of average relative deviation (ARD) and root-mean square deviation (104RMSD) were obtained by Wilson model with values of 1.06% and 8.73. Moreover, mixing properties (mixing enthalpy ΔmixH, entropy ΔmixS, Gibbs energy ΔmixG) were evaluated based on measured Solubility and equation Parameters of Wilson model. The positive values of ΔmixS and negative values of ΔmixG revealed that mixing process of HONB in considered solvents was entropy-driven and spontaneous.
Yantao Wang - One of the best experts on this subject based on the ideXlab platform.
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lignin dissolution in dialkylimidazolium based ionic liquid water mixtures
Bioresource Technology, 2014Co-Authors: Yantao Wang, Kunlan Li, Deyang Zhao, Shan Ding, Linlin Wang, Qian Zhang, Xin Wang, Junmei Wang, Hui LiAbstract:Abstract Lignin dissolution in dialkylimidazolium-based ionic liquid (IL)–water mixtures (40 wt%–100 wt% IL content) at 60 °C was investigated. The IL content and type are found to considerably affect lignin Solubility. For the IL–water mixtures except 1-butyl-3-methylimidazolium tetrafluoroborate ([C 4 C 1 im]BF 4 ), the maximum lignin Solubility can be achieved at 70 wt% IL content. Lignin Solubility in IL–water mixtures with different cations follows the order 1-butyl-3-methylimidazolium ([C 4 C 1 im] + ) > 1-hexyl-3-methylimidazolium ([C 6 C 1 im] + ) > 1-ethyl-3-methylimidazolium ([C 2 C 1 im] + ) > 1-octyl-3-methylimidazolium ([C 8 C 1 im] + ) > 1-butyl-3-ethylimidazolium ([C 4 C 2 im] + ) > 1-butyl-3-propylimidazolium ([C 4 C 3 im] + ). For IL mixtures with different anions, lignin Solubility decreases in the following order: methanesulfonate (MeSO 3 − ) > acetate (MeCO 2 − ) > bromide (Br − ) > dibutylphosphate (DBP − ). Evaluation using the theory of Hansen Solubility Parameter (HSP) is consistent with the experimental results, suggesting that HSP can aid in finding the appropriate range of IL content for IL–water mixtures. However, HSP cannot be used to evaluate the effect of IL type on lignin Solubility.
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Lignin dissolution in dialkylimidazolium-based ionic liquid-water mixtures
Bioresource Technology, 2014Co-Authors: Yantao Wang, Ligang Wei, Kunlan Li, Yingchong Ma, Deyang Zhao, Shan Ding, Bing Yan, Ningning Ma, Linlin Wang, Wenying WanAbstract:Lignin dissolution in dialkylimidazolium-based ionic liquid (IL)-water mixtures (40wt%-100wt% IL content) at 60°C was investigated. The IL content and type are found to considerably affect lignin Solubility. For the IL-water mixtures except 1-butyl-3-methylimidazolium tetrafluoroborate ([C4C1im]BF4), the maximum lignin Solubility can be achieved at 70wt% IL content. Lignin Solubility in IL-water mixtures with different cations follows the order 1-butyl-3-methylimidazolium ([C4C1im]+)>1-hexyl-3-methylimidazolium ([C6C1im]+)>1-ethyl-3-methylimidazolium ([C2C1im]+)>1-octyl-3-methylimidazolium ([C8C1im]+)>1-butyl-3-ethylimidazolium ([C4C2im]+)>1-butyl-3-propylimidazolium ([C4C3im]+). For IL mixtures with different anions, lignin Solubility decreases in the following order: methanesulfonate (MeSO3-)>acetate (MeCO2-)>bromide (Br-)>dibutylphosphate (DBP-). Evaluation using the theory of Hansen Solubility Parameter (HSP) is consistent with the experimental results, suggesting that HSP can aid in finding the appropriate range of IL content for IL-water mixtures. However, HSP cannot be used to evaluate the effect of IL type on lignin Solubility. © 2014 Elsevier Ltd.
