The morphological changes of ABA amphiphilic triblock copolymer micelles in dilute solution were systematically studied by tuning the solvent property using self-consistent field simulation. The solvent property was t...The morphological changes of ABA amphiphilic triblock copolymer micelles in dilute solution were systematically studied by tuning the solvent property using self-consistent field simulation. The solvent property was tuned by changing the Flory-Huggins interaction parameters between each type of blocks and solvent, respectively. The simulation results show that by changing the solvent properties, a series of micelle morphologies such as vesicle, cage-like, ring-shaped, rod-like and spherical micelle morphologies can be obtained. Variations of the free energy of the solution system and the surface area of micelles with the Flory-Huggins interaction parameters were calculated to better understand the effect of solvent property on micelle morphologies. In addition, a phase diagram showing the morphological changes of micelles with the Flory-Huggins interaction parameters is provided.展开更多
The conventional Rackett model for predicting liquid molar volume has been modified to cater for the effect of molar composition of the Deep Eutectic Solvents(DES). The experimental molar volume data for a group of co...The conventional Rackett model for predicting liquid molar volume has been modified to cater for the effect of molar composition of the Deep Eutectic Solvents(DES). The experimental molar volume data for a group of commonly used DES has been used for optimizing the improved model. The data involved different molar compositions of each DES. The validation of the new model was performed on another set of DESs. The average relative deviation of the model on the training and validation datasets was approximately 0.1% while the Rackett model gave a relative deviation of more than 1.6%. The modified model deals with variations in DES molar composition and temperature in a more consistent way than the original Rackett model which exhibits monotonic performance degradation as temperature moves away from reference conditions. Having the composition of the DES as a model variable enhances the practical utilization of the predicting model in diverse design and process simulation applications.展开更多
Type IV deep eutectic solvent(DES) involves the formation of metal-based eutectics from metal salts or metal salt hydrate in combination with various hydrogen-bond donors(HBDs) such as urea, ethylene glycol or ace...Type IV deep eutectic solvent(DES) involves the formation of metal-based eutectics from metal salts or metal salt hydrate in combination with various hydrogen-bond donors(HBDs) such as urea, ethylene glycol or acetamide. In current study, two distinguished approaches were used to synthesize potential DESs, given as the direct heating and the evaporating methods. Successful synthesized DESs were subjected for physical properties characterization by Fourier Transform Infrared(FTIR) Spectroscopy, thermal stability, viscosity,and conductivity analyses. Five novel manganese(II)-based DESs were successfully synthesized as reported in this study. Data obtained indicated that the Mn Cl2á4H2Oáacetamide DES exhibits the lowest freezing point(27.5℃), highest thermal stability(193℃ point of dehydration), lowest viscosity(E = 112.8cP) and the highest conductivity(0.12723 mS/cm). The findings obtained reveal the characteristics, nature or features of synthesized DESs as potential industrial solvents.展开更多
A series of room-temperature ternary deep eutectic solvents (TDESs) were prepared from imidazolium halides, zinc halides and amides. The [BMIM]Cl-ZnCl2-acetamide (1:1:1) system shows the lowest freezing point (...A series of room-temperature ternary deep eutectic solvents (TDESs) were prepared from imidazolium halides, zinc halides and amides. The [BMIM]Cl-ZnCl2-acetamide (1:1:1) system shows the lowest freezing point (-60℃) and lowest density in the series. The viscosity and conductivity of TDESs have an exponential relationship with temperature and can be fitted by Arrhenius equation.展开更多
基金financially supported by the National Natural Science Foundation of China(No.21104078)the Project of Science and Technology of Jilin Province,China(No.201201096)the Scientific Research Starting Foundation for the Jilin Agricultural University,China(No.201212)
文摘The morphological changes of ABA amphiphilic triblock copolymer micelles in dilute solution were systematically studied by tuning the solvent property using self-consistent field simulation. The solvent property was tuned by changing the Flory-Huggins interaction parameters between each type of blocks and solvent, respectively. The simulation results show that by changing the solvent properties, a series of micelle morphologies such as vesicle, cage-like, ring-shaped, rod-like and spherical micelle morphologies can be obtained. Variations of the free energy of the solution system and the surface area of micelles with the Flory-Huggins interaction parameters were calculated to better understand the effect of solvent property on micelle morphologies. In addition, a phase diagram showing the morphological changes of micelles with the Flory-Huggins interaction parameters is provided.
基金Supported by Sultan Qaboos University,Petroleum and Chemical Engineering Department,Muscat Oman
文摘The conventional Rackett model for predicting liquid molar volume has been modified to cater for the effect of molar composition of the Deep Eutectic Solvents(DES). The experimental molar volume data for a group of commonly used DES has been used for optimizing the improved model. The data involved different molar compositions of each DES. The validation of the new model was performed on another set of DESs. The average relative deviation of the model on the training and validation datasets was approximately 0.1% while the Rackett model gave a relative deviation of more than 1.6%. The modified model deals with variations in DES molar composition and temperature in a more consistent way than the original Rackett model which exhibits monotonic performance degradation as temperature moves away from reference conditions. Having the composition of the DES as a model variable enhances the practical utilization of the predicting model in diverse design and process simulation applications.
文摘Type IV deep eutectic solvent(DES) involves the formation of metal-based eutectics from metal salts or metal salt hydrate in combination with various hydrogen-bond donors(HBDs) such as urea, ethylene glycol or acetamide. In current study, two distinguished approaches were used to synthesize potential DESs, given as the direct heating and the evaporating methods. Successful synthesized DESs were subjected for physical properties characterization by Fourier Transform Infrared(FTIR) Spectroscopy, thermal stability, viscosity,and conductivity analyses. Five novel manganese(II)-based DESs were successfully synthesized as reported in this study. Data obtained indicated that the Mn Cl2á4H2Oáacetamide DES exhibits the lowest freezing point(27.5℃), highest thermal stability(193℃ point of dehydration), lowest viscosity(E = 112.8cP) and the highest conductivity(0.12723 mS/cm). The findings obtained reveal the characteristics, nature or features of synthesized DESs as potential industrial solvents.
基金the Fundamental Research Funds for the Central Universities(No.13D110520 and 13D310508)for funding this work
文摘A series of room-temperature ternary deep eutectic solvents (TDESs) were prepared from imidazolium halides, zinc halides and amides. The [BMIM]Cl-ZnCl2-acetamide (1:1:1) system shows the lowest freezing point (-60℃) and lowest density in the series. The viscosity and conductivity of TDESs have an exponential relationship with temperature and can be fitted by Arrhenius equation.