Prediction of vapor-liquid equilibrium （VLE） is extremely necessary to separate liquid mixture in chemical production, especially when the required experimental data are difficult to measure, or the measurement is n...Prediction of vapor-liquid equilibrium （VLE） is extremely necessary to separate liquid mixture in chemical production, especially when the required experimental data are difficult to measure, or the measurement is not economical. The infinite dilution activities can be used to predict VLE. However, it needs both the ends of the activities that are difficult to obtain for many systems. In the present study, a new model is proposed for correlating the frequency shift of C-H stretching band of IR spectra over the whole concentration. Investigated mixtures in- clude water/2-propanol, water/N, N-dimethylformamide （DMF）, water/methanol, water/ethanol, water/1, 4-dioxane, and water/dimethylsulfoxide （DMSO） systems. Simultaneous correlations of C--H frequency shift and VLE data are made. Furthermore, the VLE data were predicted with satisfactory results by the parameters obtained from IR spectra coupled with one ot the intinite chlution activity coefficients.展开更多
Highly active Ir‐La‐S/AC catalyst was successfully prepared by co‐impregnation of an activated carbon（AC） carrier with a sulfuric acid solution of Ir and La species and compared with a tradition‐ally prepared Ir...Highly active Ir‐La‐S/AC catalyst was successfully prepared by co‐impregnation of an activated carbon（AC） carrier with a sulfuric acid solution of Ir and La species and compared with a tradition‐ally prepared Ir‐La/AC catalyst. High angle annular dark‐field‐scanning transmission electron mi‐croscopy（HAADF‐STEM） measurement results show that most of the Ir species on Ir‐La‐S/AC exist as single atomic sites, while those on Ir‐La/AC exist as nanoparticles with an average diameter of 1.5 nm. Evaluation of Ir‐La‐S/AC as a catalyst for heterogeneous carbonylation of methanol to acetyl gave a maximum TOF （turn‐over‐frequency） of 2760 h^–1, which was distinctly higher than that achieved by the Ir‐La/AC catalyst（approximately 1000 h^-1）. Temperature‐programmed desorption of ammonia（NH3‐TPD） result shows that the addition of sulfuric acid during the preparation pro‐cedure results in significantly more acidic sites on Ir‐La‐S/AC than those on Ir‐La/AC, which plays a key role in the enhancement of CO insertion as the rate‐determining step. Tempera‐ture‐programmed reduction（TPR） and in situ X‐ray photoelectron spectroscopy reveal that Ir spe‐cies are more reducible, and that more Ir^＋ might be formed by activation of Ir‐La‐S/AC than those on the Ir‐La/AC catalyst, which is thought to be beneficial for reductive elimination of AcI from Ir^3＋ species as an essential step for CH3I regeneration and acetyl formation.展开更多
The thermal decomposition characteristics of methyl oleate were preliminarily investigated under nitrogen atmo-sphere by a thermogravimetric analyzer when the ester was heated at a heating rate of 10℃/min from room t...The thermal decomposition characteristics of methyl oleate were preliminarily investigated under nitrogen atmo-sphere by a thermogravimetric analyzer when the ester was heated at a heating rate of 10℃/min from room temperature to 600℃. Furthermore, the pyrolytic and kinetic characteristics of methyl oleate were intensively studied at different heating rates. The gaseous species obtained during thermal decomposition were also identiifed by the TG-FTIR coupling analysis. The results showed that the pyrolysis of methyl oleate proceeded in three stages, viz. the drying stage, the main pyrolysis stage and the residual pyrolysis stage. The initial decomposition temperature, the maximum weight loss temperature, the peak decomposition temperature and the rate of maximum weight loss of methyl oleate increased with the increasing heating rates. Gaseous CO, CO2 and H2O were the typical decomposition products from pyrolysis of methyl oleate. In addition, a kinetic model for thermal decomposition of methyl oleate was built up based on the experimental results using the Coats-Redfern integral method and the multiplelinear regression method. The activation energy, the preexponential factor, the reaction order and the kinetic equation for thermal decomposition of methyl oleate were obtained. Comparison of the experimental data with the calculated ones and analysis of statistical errors of pyrolysis ratios demonstrated that the kinetic model was reliable for studying the pyrolysis of methyl oleate. Finally, the kinetic compensation effect between the preexponential factors and the activation energy in the pyrolysis of methyl oleate was also conifrmed.展开更多
Flotation experiments were performed to investigate the separation of muscovite and quartz in the presence of dodecylamine(DDA), tallow amine(TTA) and dodecyltrimethylammonium bromide(DTAC). The adsorption mechanisms ...Flotation experiments were performed to investigate the separation of muscovite and quartz in the presence of dodecylamine(DDA), tallow amine(TTA) and dodecyltrimethylammonium bromide(DTAC). The adsorption mechanisms of these three kinds of amines on muscovite and quartz were studied by FT-IR spectrum analysis, contact angle measurement and molecular dynamics(MD) simulation. The results reveal that the separation of muscovite from quartz is feasible at strong acid pulp condition using amine collectors. TTA and DTAC show poorer collecting ability for flotation of the two minerals compared with DDA. Physical adsorption is found to be the main adsorption module of amine collectors on muscovite and quartz by FT-IR analysis. MD simulation results show a strong physical adsorption ability of DDA+ cation on muscovite and quartz(muscovite(001):-117.31 kJ/mol, quartz(100):-89.43 kJ/mol), while neutral DDA molecular can hardly absorb onto the surface of these two minerals. These findings provide a novel explanation for the flotation mechanism from the perspective of MD simulation.展开更多
The flotation of diaspore and kaolinite by one of a series of tertiary amines（DRN,DEN,DPN and DBN） was investigated.The tertiary amines show better floating recovery for kaolinite compared to diaspore.The maximum re...The flotation of diaspore and kaolinite by one of a series of tertiary amines（DRN,DEN,DPN and DBN） was investigated.The tertiary amines show better floating recovery for kaolinite compared to diaspore.The maximum recovery D-value is 45%over a pH range from 3 to 8.FT-IR spectra confirm the presence of hydroxyl groups on the surface of kaolinite and diaspore.Zeta potential measurements show that the mineral surfaces are negatively charged over a wide pH range.Ionization of hydroxyl groups mainly accounts for the surface charging mechanism.The adsorption of tertiary amines onto the mineral surface is due mainly to electrostatic effects and the difference in electrostatic effect between a collector and the two minerals can explain the flotation separation.Inductive electronic and steric effects from the substituent groups result in different collecting powers for the four tertiary amines.展开更多
A kind of modified epoxy resins was obtained by condensation of epoxy resin with silicic acid tetraethyl ester（TEOS） and nano-SiO2. The reactions were performed with hydrochloric acid as a catalyst at 63 ℃. The str...A kind of modified epoxy resins was obtained by condensation of epoxy resin with silicic acid tetraethyl ester（TEOS） and nano-SiO2. The reactions were performed with hydrochloric acid as a catalyst at 63 ℃. The structure, thermal stability and morphological characteristics of the modified epoxy resins were studied through infrared spectra（FT-IR） analysis, thermogravimetric（TG） analysis and scanning electron microscopy respectively. It has been found from the IR and TG study that modified epoxy resins have greater thermal stability than epoxy resins, and its thermal stability has been improved by the formation of inter-crosslinked network structure. The modified epoxy resins exhibit heterogeneous morphology and heterogeneity increases with more TEOS feeding, which in turn confirms the formation of inter-crosslinked network structure in modified epoxy resins.展开更多
AIM: Many oxidative stress-related diseases occur as a result of the accumulation of free radicals in the body. Free radicals are generated by various endogenous systems, exposure to different physiochemical condition...AIM: Many oxidative stress-related diseases occur as a result of the accumulation of free radicals in the body. Free radicals are generated by various endogenous systems, exposure to different physiochemical conditions, or pathological states. A balance between free radicals and antioxidants is necessary for appropriate physiological function. A lot of studies are going on worldwide directed towards finding natural antioxidants of plant origin. FTIR spectroscopy is used to develop a rapid and effective analytical method for studying the main constituents in medicinal plants. The chemical constituents in the plants were identified and monitored for their medicinal properties. The aim of this study was to evaluate the in vitro antioxidant activities and FTIR spectroscopic analysis of the ethanolic extract of Evolvulus alsinoides. METHOD: Free radical scavenging activity of ethanolic extract of the whole plant of E. alsinoides was evaluated by in vitro methods, including total antioxidant assay(FRAP method) and hydrogen peroxide scavenging activity using ascorbic acid as a standard. The degree of lipid peroxidation was examined by estimating the thiobarbituric acid reactive substances(TBARS) using standard methods and the functional groups were analyzed using FTIR spectroscopy. The IR spectrum in the mid-infrared region 4 000–400 cm–1 was used for discriminatio and to identify various functional groups present in E. alsinoides. RESULTS: The findings indicated the presence of amino acids, amides, amines, carboxylic acids, carbonyl compounds, organic hydrocarbons, and halogens in the ethanolic extract of E. alsinoides, and the antioxidant activities were significantly increased, when compared with the standard antioxidant ascorbic acid, in a dose-dependent manner. CONCLUSION: The findings indicated promising antioxidant activity of the crude extract of E. alsinoides, and needs further exploration for their potential effective use.展开更多
基金Supported by the National Natural Science Foundation of China (No.20573093 and No.20434020).
文摘Prediction of vapor-liquid equilibrium （VLE） is extremely necessary to separate liquid mixture in chemical production, especially when the required experimental data are difficult to measure, or the measurement is not economical. The infinite dilution activities can be used to predict VLE. However, it needs both the ends of the activities that are difficult to obtain for many systems. In the present study, a new model is proposed for correlating the frequency shift of C-H stretching band of IR spectra over the whole concentration. Investigated mixtures in- clude water/2-propanol, water/N, N-dimethylformamide （DMF）, water/methanol, water/ethanol, water/1, 4-dioxane, and water/dimethylsulfoxide （DMSO） systems. Simultaneous correlations of C--H frequency shift and VLE data are made. Furthermore, the VLE data were predicted with satisfactory results by the parameters obtained from IR spectra coupled with one ot the intinite chlution activity coefficients.
基金supported by the National Key R&D Program of China (2017YFB0602203)~~
文摘Highly active Ir‐La‐S/AC catalyst was successfully prepared by co‐impregnation of an activated carbon（AC） carrier with a sulfuric acid solution of Ir and La species and compared with a tradition‐ally prepared Ir‐La/AC catalyst. High angle annular dark‐field‐scanning transmission electron mi‐croscopy（HAADF‐STEM） measurement results show that most of the Ir species on Ir‐La‐S/AC exist as single atomic sites, while those on Ir‐La/AC exist as nanoparticles with an average diameter of 1.5 nm. Evaluation of Ir‐La‐S/AC as a catalyst for heterogeneous carbonylation of methanol to acetyl gave a maximum TOF （turn‐over‐frequency） of 2760 h^–1, which was distinctly higher than that achieved by the Ir‐La/AC catalyst（approximately 1000 h^-1）. Temperature‐programmed desorption of ammonia（NH3‐TPD） result shows that the addition of sulfuric acid during the preparation pro‐cedure results in significantly more acidic sites on Ir‐La‐S/AC than those on Ir‐La/AC, which plays a key role in the enhancement of CO insertion as the rate‐determining step. Tempera‐ture‐programmed reduction（TPR） and in situ X‐ray photoelectron spectroscopy reveal that Ir spe‐cies are more reducible, and that more Ir^＋ might be formed by activation of Ir‐La‐S/AC than those on the Ir‐La/AC catalyst, which is thought to be beneficial for reductive elimination of AcI from Ir^3＋ species as an essential step for CH3I regeneration and acetyl formation.
基金the financial support provided by the National Natural Science Foundation of China(Project No.51375491)the Natural Science Foundation of Chongqing(No.CSTC,2014 JCYAA 50021)
文摘The thermal decomposition characteristics of methyl oleate were preliminarily investigated under nitrogen atmo-sphere by a thermogravimetric analyzer when the ester was heated at a heating rate of 10℃/min from room temperature to 600℃. Furthermore, the pyrolytic and kinetic characteristics of methyl oleate were intensively studied at different heating rates. The gaseous species obtained during thermal decomposition were also identiifed by the TG-FTIR coupling analysis. The results showed that the pyrolysis of methyl oleate proceeded in three stages, viz. the drying stage, the main pyrolysis stage and the residual pyrolysis stage. The initial decomposition temperature, the maximum weight loss temperature, the peak decomposition temperature and the rate of maximum weight loss of methyl oleate increased with the increasing heating rates. Gaseous CO, CO2 and H2O were the typical decomposition products from pyrolysis of methyl oleate. In addition, a kinetic model for thermal decomposition of methyl oleate was built up based on the experimental results using the Coats-Redfern integral method and the multiplelinear regression method. The activation energy, the preexponential factor, the reaction order and the kinetic equation for thermal decomposition of methyl oleate were obtained. Comparison of the experimental data with the calculated ones and analysis of statistical errors of pyrolysis ratios demonstrated that the kinetic model was reliable for studying the pyrolysis of methyl oleate. Finally, the kinetic compensation effect between the preexponential factors and the activation energy in the pyrolysis of methyl oleate was also conifrmed.
基金Project(52012BAB07B0)supported by National "Twelfth Five-Year" Plan for Science&Technology Support,ChinaProject(2013zzts066)supported by the Graduate Student Self-innovation Program from Central South University,China
文摘Flotation experiments were performed to investigate the separation of muscovite and quartz in the presence of dodecylamine(DDA), tallow amine(TTA) and dodecyltrimethylammonium bromide(DTAC). The adsorption mechanisms of these three kinds of amines on muscovite and quartz were studied by FT-IR spectrum analysis, contact angle measurement and molecular dynamics(MD) simulation. The results reveal that the separation of muscovite from quartz is feasible at strong acid pulp condition using amine collectors. TTA and DTAC show poorer collecting ability for flotation of the two minerals compared with DDA. Physical adsorption is found to be the main adsorption module of amine collectors on muscovite and quartz by FT-IR analysis. MD simulation results show a strong physical adsorption ability of DDA+ cation on muscovite and quartz(muscovite(001):-117.31 kJ/mol, quartz(100):-89.43 kJ/mol), while neutral DDA molecular can hardly absorb onto the surface of these two minerals. These findings provide a novel explanation for the flotation mechanism from the perspective of MD simulation.
基金supported by the National Key Fundamental Research and Development Program(No.2005CB623701)the National Department Public Benefit Research Foundation from Ministry of Land and Resources(No.201011031 )the Foundation for the Author of Zhengzhou Institute of Multipurpose Utilization of Mineral Resources CAGS(No.2935)
文摘The flotation of diaspore and kaolinite by one of a series of tertiary amines（DRN,DEN,DPN and DBN） was investigated.The tertiary amines show better floating recovery for kaolinite compared to diaspore.The maximum recovery D-value is 45%over a pH range from 3 to 8.FT-IR spectra confirm the presence of hydroxyl groups on the surface of kaolinite and diaspore.Zeta potential measurements show that the mineral surfaces are negatively charged over a wide pH range.Ionization of hydroxyl groups mainly accounts for the surface charging mechanism.The adsorption of tertiary amines onto the mineral surface is due mainly to electrostatic effects and the difference in electrostatic effect between a collector and the two minerals can explain the flotation separation.Inductive electronic and steric effects from the substituent groups result in different collecting powers for the four tertiary amines.
文摘A kind of modified epoxy resins was obtained by condensation of epoxy resin with silicic acid tetraethyl ester（TEOS） and nano-SiO2. The reactions were performed with hydrochloric acid as a catalyst at 63 ℃. The structure, thermal stability and morphological characteristics of the modified epoxy resins were studied through infrared spectra（FT-IR） analysis, thermogravimetric（TG） analysis and scanning electron microscopy respectively. It has been found from the IR and TG study that modified epoxy resins have greater thermal stability than epoxy resins, and its thermal stability has been improved by the formation of inter-crosslinked network structure. The modified epoxy resins exhibit heterogeneous morphology and heterogeneity increases with more TEOS feeding, which in turn confirms the formation of inter-crosslinked network structure in modified epoxy resins.
文摘AIM: Many oxidative stress-related diseases occur as a result of the accumulation of free radicals in the body. Free radicals are generated by various endogenous systems, exposure to different physiochemical conditions, or pathological states. A balance between free radicals and antioxidants is necessary for appropriate physiological function. A lot of studies are going on worldwide directed towards finding natural antioxidants of plant origin. FTIR spectroscopy is used to develop a rapid and effective analytical method for studying the main constituents in medicinal plants. The chemical constituents in the plants were identified and monitored for their medicinal properties. The aim of this study was to evaluate the in vitro antioxidant activities and FTIR spectroscopic analysis of the ethanolic extract of Evolvulus alsinoides. METHOD: Free radical scavenging activity of ethanolic extract of the whole plant of E. alsinoides was evaluated by in vitro methods, including total antioxidant assay(FRAP method) and hydrogen peroxide scavenging activity using ascorbic acid as a standard. The degree of lipid peroxidation was examined by estimating the thiobarbituric acid reactive substances(TBARS) using standard methods and the functional groups were analyzed using FTIR spectroscopy. The IR spectrum in the mid-infrared region 4 000–400 cm–1 was used for discriminatio and to identify various functional groups present in E. alsinoides. RESULTS: The findings indicated the presence of amino acids, amides, amines, carboxylic acids, carbonyl compounds, organic hydrocarbons, and halogens in the ethanolic extract of E. alsinoides, and the antioxidant activities were significantly increased, when compared with the standard antioxidant ascorbic acid, in a dose-dependent manner. CONCLUSION: The findings indicated promising antioxidant activity of the crude extract of E. alsinoides, and needs further exploration for their potential effective use.
