Based on Schaaff's collision factor theory (CFT) in liquids, the equations for nonlinear ultrasonic parameters in both organic liquid and binary organic liquid mixtures are deduced. The nonlinear ultrasonic paramet...Based on Schaaff's collision factor theory (CFT) in liquids, the equations for nonlinear ultrasonic parameters in both organic liquid and binary organic liquid mixtures are deduced. The nonlinear ultrasonic parameters, including pressure coefficient, temperature coefficients of ultrasonic velocity, and nonlinear acoustic parameter B/A in both organic liquid and binary organic liquid mixtures, are evaluated for comparison with the measured results and data from other sources. The equations show that the coefficient of ultrasonic velocity and nonlinear acoustic parameter B/A are closely related to molecular interactions. These nonlinear ultrasonic parameters reflect some information of internal structure and outside status of the medium or mixtures. From the exponent of repulsive forces of the molecules, several thermodynamic parameters, pressure and temperature of the medium, the nonlinear ultrasonic parameters and ultrasonic nature of the medium can be evaluated. When evaluating and studying nonlinear acoustic parameter B/A of binary organic liquid mixtures, there is no need to know the nonlinear acoustic parameter B/A of the components. Obviously, the equation reveals the connection between the nonlinear ultrasonic nature and internal structure and outside status of the mixtures more directly and distinctly than traditional mixture law for B/A, e.g. Apfel's and Sehgal's laws for liquid binary mixtures.展开更多
A simple analytic embedded-atom model of monoatoms that includes more than nearest neighbours has been extended to study properties of binary liquid Cu-Ni alloys, here the two-body potential between different species ...A simple analytic embedded-atom model of monoatoms that includes more than nearest neighbours has been extended to study properties of binary liquid Cu-Ni alloys, here the two-body potential between different species of atoms is taken as a function of the two-body potential for the pure metals with a unique form which yields alloy models with the same invariance to electron density transformations as monoatomic models. Faber-Ziman structure factors have been computed by molecular dynamics simulation on the base of this model. The results are in good agreement with experimental data given by Waseda, thus supporting the overall validity of the approach, especially for cross potential of Cu-Ni pair. Further, a detailed description of structure of binary liquid Cu-Ni alloys with different compositions have been performed using pair analysis and bond orientational order method etc., and then the chemical short range order has also been examined to reveal the structural characterization.展开更多
Although room temperature ionic liquids(ILs)have emerged as potential next-generation electrolytes for their wide electrochemical stability window(ESW),the trade-off between this window and viscosity has hindered thei...Although room temperature ionic liquids(ILs)have emerged as potential next-generation electrolytes for their wide electrochemical stability window(ESW),the trade-off between this window and viscosity has hindered their widespread use in energy storage devices.Here,we present for the first time that such a trade-off can be balanced by mixing two ILs with the common anion([NTf_(2)]^(-))but different cations([EMIM]^(+) and[N1114]^(+))together.The[EMIM]cation-based IL possesses low viscosity while the[N1114]cation-based IL exhibits wide ESW.Since the concentrations of each IL in the mixtures can result in different electrolyte properties,we demonstrate a systematic approach by exploring the properties of various concentration combinations.In addition,the corresponding cell voltage of their resulting graphene supercapacitors(SCs)accompanied based on the interaction between the binary ionic liquid and the electrodes,and the associated electrochemical performance were studied to determine the optimum electrolyte system for the highest SC energy density.The well-balanced viscosity/ESW trade-off is achieved in binary IL consisting 50 vol%[EMIM][NTf_(2)]and 50 vol%[N1114][NTf_(2)]as evident from the extraordinary electrode specific capacitance of 293.1 F g^(-1) and the ultrahigh SC energy density of 177 Wh kg^(-1),which approaches that of a lithium-ion battery.展开更多
Disk-like liquid crystals(DLCs) can self-assemble to ordered columnar mesophases and are intriguing onedimensional organic semiconductors with high charge carrier mobility.To improve their applicable property of mes...Disk-like liquid crystals(DLCs) can self-assemble to ordered columnar mesophases and are intriguing onedimensional organic semiconductors with high charge carrier mobility.To improve their applicable property of mesomorphic temperature ranges,we exploit the binary mixtures of electronic donor-acceptor DLC materials.The electron-rich2,3,6,7,10,11-hexakis(alkoxy)triphenylenes(C4,C6,C8,C10,C12) and an electron-deficient tetrapentyl triphenylene-2,3,6,10-tetracarboxylate have been prepared and their binary mixtures have been investigated.The mesomorphism of the1:1(molar ratio) mixtures has been characterized by polarizing optical microscopy(POM),differential scanning calorimetry(DSC),and small angel x-ray scattering(SAXS).The self-assembled monolayer structure of a discogen on a solid-liquid interface has been imaged by the high resolution scanning tunneling microscopy(STM).The match of peripheral chain length has important influence on the mesomorphism of the binary mixtures.展开更多
Acetate-based imidazolium ionic liquids(ILs)are of great importance and widely applied in biomass processing and engineering but under stability issue due to the structure self–rearrangement induced by C2–H deproton...Acetate-based imidazolium ionic liquids(ILs)are of great importance and widely applied in biomass processing and engineering but under stability issue due to the structure self–rearrangement induced by C2–H deprotonation,by which the IL based biomass processing will be challenging.Herein,we demonstrated that the thermal stability of normal acetate-based imidazolim[C8C1Im][OAc]could be significantly improved by changing its cation and anion environment with the presence of 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide IL([C4C1Im][NTf2]).When the molar fraction of[C8C1Im][OAc]was 0.3,the thermal stability of[C8C1Im][OAc]could be significantly improved(ΔT5%dec=+43°C).Detailed information obtained from thermal gravimetric analysis(TGA)and nuclear magnetic resonance(NMR)revealed that the addition of[C4C1 Im][NTf2]played a significant role in enhancing the thermal stability of[C8C1Im][OAc].It was proposed that the formation of an anion–π+structure network between[C8C1 Im][OAc]and[C4C1Im][NTf2]via strong hydrogen bond interactions greatly affects the environment of hydrogen atom in the imidazolium ring of each IL.展开更多
The Gibbs-Bogoliubov (GB) inequality is applied to investigate the thermodynamic properties of some equiatomic noble metal alloys in liquid phase such as Au-Cu, Ag-Cu, and Ag-Au using well recognized pseudopotential...The Gibbs-Bogoliubov (GB) inequality is applied to investigate the thermodynamic properties of some equiatomic noble metal alloys in liquid phase such as Au-Cu, Ag-Cu, and Ag-Au using well recognized pseudopotential formalism. For description of the structure, well known Percus-Yevick (PY) hard sphere model is used as a reference system. By applying a variation method the best hard core diameters have been found which correspond to minimum free energy. With this procedure the thermodynamic properties such as entropy and heat of mixing have been computed. The influence of local field correction function viz; Hartree (H), Taylor (T), lehimaru-Utsumi (IU), Farid et al. (F), and Sarkar et al. (S) is also investigated. The computed results of the excess entropy compares favourably in the case of liquid alloys while the agreement with experiment is poor in the case of heats of mixing. This may be due to the sensitivity of the heats of mixing with the potential parameters and the dielectric function.展开更多
The electrochemical behaviour of Nd(Ⅲ)ion was investigated on inert W,active Ga and Ga-AI cathodes.It is established that the reduction of Nd(Ⅲ)ion on the inert electrode is a consecutive two-step process while that...The electrochemical behaviour of Nd(Ⅲ)ion was investigated on inert W,active Ga and Ga-AI cathodes.It is established that the reduction of Nd(Ⅲ)ion on the inert electrode is a consecutive two-step process while that on the active electrodes is a one-step process.The apparent standard potential of the Nd(Ⅲ)/Nd redox couple at different temperatures was determined by open-circuit chronopotentiometry and semi-differential method,and the relationship between temperature and apparent standard potential was further discussed.The thermodynamic properties of Nd in Ga and Ga-Al electrodes such as activity coefficient and activity were evaluated via intermittent coulomb titration and temperature dependence test,and the effect of temperature on activity coefficient was verified.Finally,Nd was successfully extracted in form of alloy from molten salt by galvanostatic electrolysis,in which the current efficiency of91.7%for the electroextraction indicates that the binary liquid Ga-Al electrode has favorable performance.展开更多
This paper deals with a numerical analysis of the evaporation of a thin binary liquid film by forced convection inside a channel constituted by two plates.The first plate is externally insulated and wetted by a thin w...This paper deals with a numerical analysis of the evaporation of a thin binary liquid film by forced convection inside a channel constituted by two plates.The first plate is externally insulated and wetted by a thin water ethylene glycol film while the second is dry and isothermal.The first part is concerned with the effects of inlet ambiance conditions and the liquid concentration of ethylene glycol on the distribution of the velocity,temperature,concentrations profiles and the axial variation of the evaporation rate.The second part is focused on the inversion temperature point of the evaporation of binary liquid film.Results show that the inversion temperature phenomenon for the evaporation of binary liquid mixture is observed for high liquid concentration of ethylene glycol.The present results show that in the inlet temperature range considered here,the inversion temperature does not exit for the evaporation of pure ethylene glycol.展开更多
The sunlight is the largest single available source of clean and renewable energy to ensure human society's sustainable devel- opment. Owing to their low production cost and high energy conversion efficiency, dye-sen...The sunlight is the largest single available source of clean and renewable energy to ensure human society's sustainable devel- opment. Owing to their low production cost and high energy conversion efficiency, dye-sensitized solar cells (DSSCs) have been regarded as good alternatives to conventional photovoltaic devices. Herein, a series of composite electrolytes based on poly(ethylene oxide) (PEO) and the binary ionic liquids 1-propyl-3-methy-imidazolium iodide ([PMIm]I) and l-ethyl-3- methylimidazolium thiocyanate ([EMIm][SCN]) were prepared and then applied to fabricate six DSSCs. The composite elec- trolytes were characterized by fourier transform infrared spectroscopy (FTIS), X-ray diffraction (XRD), and electrochemical impedance spectra (EIS). It was shown that the addition of binary ionic liquids would reduce the degree of crystallinity of PEO thus improving the ionic conductivities of the electrolytes by about 2 orders of magnitude. Investigation on the photovoltaic performances of these DSSCs showed that the fill factor (FF) could reach up to 0.67 and energy conversion efficiency (η) could reach up to 4.04% under AM 1.5 full sunlight (100 mW/cm^2).展开更多
Physical properties including refractive index, density, viscosity and conductivity for binary mixtures of l-butyl- 3-methyl imidazolium chloride ([BMIM]CI) and different organic solvents at 298.15 K have been inves...Physical properties including refractive index, density, viscosity and conductivity for binary mixtures of l-butyl- 3-methyl imidazolium chloride ([BMIM]CI) and different organic solvents at 298.15 K have been investigated. Ex- cess molar volumes have been calculated and obtained data has been fitted by the Redlich-Kister equation. The density and refractive index were found to increase with increasing concentration of [BMIM]CI, however, excep- tions do exist as in the case of dimethyl sulfoxide (DMSO)/[BMIM]CI. For DMSO/[BMIM]CI, the density decreases with increasing concentration. The addition of different organic solvents was able to disrupt the interactions within mixtures, leading to free mobility of ions. The free mobility of ions has been found to enhance conductivity and decrease viscosity to varying extents in all mixtures studied. It has been observed that solubility parameters, dielectric constants and composition of the solvents used play a vital role in determining the resultant properties. The data obtained will play an important role in understanding the effect of the addition of organic solvents in ILs to enhance their applicability.展开更多
文摘Based on Schaaff's collision factor theory (CFT) in liquids, the equations for nonlinear ultrasonic parameters in both organic liquid and binary organic liquid mixtures are deduced. The nonlinear ultrasonic parameters, including pressure coefficient, temperature coefficients of ultrasonic velocity, and nonlinear acoustic parameter B/A in both organic liquid and binary organic liquid mixtures, are evaluated for comparison with the measured results and data from other sources. The equations show that the coefficient of ultrasonic velocity and nonlinear acoustic parameter B/A are closely related to molecular interactions. These nonlinear ultrasonic parameters reflect some information of internal structure and outside status of the medium or mixtures. From the exponent of repulsive forces of the molecules, several thermodynamic parameters, pressure and temperature of the medium, the nonlinear ultrasonic parameters and ultrasonic nature of the medium can be evaluated. When evaluating and studying nonlinear acoustic parameter B/A of binary organic liquid mixtures, there is no need to know the nonlinear acoustic parameter B/A of the components. Obviously, the equation reveals the connection between the nonlinear ultrasonic nature and internal structure and outside status of the mixtures more directly and distinctly than traditional mixture law for B/A, e.g. Apfel's and Sehgal's laws for liquid binary mixtures.
文摘A simple analytic embedded-atom model of monoatoms that includes more than nearest neighbours has been extended to study properties of binary liquid Cu-Ni alloys, here the two-body potential between different species of atoms is taken as a function of the two-body potential for the pure metals with a unique form which yields alloy models with the same invariance to electron density transformations as monoatomic models. Faber-Ziman structure factors have been computed by molecular dynamics simulation on the base of this model. The results are in good agreement with experimental data given by Waseda, thus supporting the overall validity of the approach, especially for cross potential of Cu-Ni pair. Further, a detailed description of structure of binary liquid Cu-Ni alloys with different compositions have been performed using pair analysis and bond orientational order method etc., and then the chemical short range order has also been examined to reveal the structural characterization.
基金Baohua Jia and Han Lin acknowledges the Australia Research Council through the Discovery Project Scheme(DP190103186,DP220100603,FT210100806)the Industrial Transformation Training Centre Scheme(Grant No.IC180100005)The authors wish to express gratitude to the Swinburne Melbourne and Swinburne Sarawak for funding this project under the‘Melbourne-Sarawak Research Collaboration Scheme’(MSRSC)grant.
文摘Although room temperature ionic liquids(ILs)have emerged as potential next-generation electrolytes for their wide electrochemical stability window(ESW),the trade-off between this window and viscosity has hindered their widespread use in energy storage devices.Here,we present for the first time that such a trade-off can be balanced by mixing two ILs with the common anion([NTf_(2)]^(-))but different cations([EMIM]^(+) and[N1114]^(+))together.The[EMIM]cation-based IL possesses low viscosity while the[N1114]cation-based IL exhibits wide ESW.Since the concentrations of each IL in the mixtures can result in different electrolyte properties,we demonstrate a systematic approach by exploring the properties of various concentration combinations.In addition,the corresponding cell voltage of their resulting graphene supercapacitors(SCs)accompanied based on the interaction between the binary ionic liquid and the electrodes,and the associated electrochemical performance were studied to determine the optimum electrolyte system for the highest SC energy density.The well-balanced viscosity/ESW trade-off is achieved in binary IL consisting 50 vol%[EMIM][NTf_(2)]and 50 vol%[N1114][NTf_(2)]as evident from the extraordinary electrode specific capacitance of 293.1 F g^(-1) and the ultrahigh SC energy density of 177 Wh kg^(-1),which approaches that of a lithium-ion battery.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.51273133 and 51443004)
文摘Disk-like liquid crystals(DLCs) can self-assemble to ordered columnar mesophases and are intriguing onedimensional organic semiconductors with high charge carrier mobility.To improve their applicable property of mesomorphic temperature ranges,we exploit the binary mixtures of electronic donor-acceptor DLC materials.The electron-rich2,3,6,7,10,11-hexakis(alkoxy)triphenylenes(C4,C6,C8,C10,C12) and an electron-deficient tetrapentyl triphenylene-2,3,6,10-tetracarboxylate have been prepared and their binary mixtures have been investigated.The mesomorphism of the1:1(molar ratio) mixtures has been characterized by polarizing optical microscopy(POM),differential scanning calorimetry(DSC),and small angel x-ray scattering(SAXS).The self-assembled monolayer structure of a discogen on a solid-liquid interface has been imaged by the high resolution scanning tunneling microscopy(STM).The match of peripheral chain length has important influence on the mesomorphism of the binary mixtures.
基金financially supported by the National Natural Science Foundation of China(21776026)the Liaoning Revitalization Talents Program(XLYC1902037)the start-up research funding of Beijing Institute of Technology(3160011181808)。
文摘Acetate-based imidazolium ionic liquids(ILs)are of great importance and widely applied in biomass processing and engineering but under stability issue due to the structure self–rearrangement induced by C2–H deprotonation,by which the IL based biomass processing will be challenging.Herein,we demonstrated that the thermal stability of normal acetate-based imidazolim[C8C1Im][OAc]could be significantly improved by changing its cation and anion environment with the presence of 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide IL([C4C1Im][NTf2]).When the molar fraction of[C8C1Im][OAc]was 0.3,the thermal stability of[C8C1Im][OAc]could be significantly improved(ΔT5%dec=+43°C).Detailed information obtained from thermal gravimetric analysis(TGA)and nuclear magnetic resonance(NMR)revealed that the addition of[C4C1 Im][NTf2]played a significant role in enhancing the thermal stability of[C8C1Im][OAc].It was proposed that the formation of an anion–π+structure network between[C8C1 Im][OAc]and[C4C1Im][NTf2]via strong hydrogen bond interactions greatly affects the environment of hydrogen atom in the imidazolium ring of each IL.
文摘The Gibbs-Bogoliubov (GB) inequality is applied to investigate the thermodynamic properties of some equiatomic noble metal alloys in liquid phase such as Au-Cu, Ag-Cu, and Ag-Au using well recognized pseudopotential formalism. For description of the structure, well known Percus-Yevick (PY) hard sphere model is used as a reference system. By applying a variation method the best hard core diameters have been found which correspond to minimum free energy. With this procedure the thermodynamic properties such as entropy and heat of mixing have been computed. The influence of local field correction function viz; Hartree (H), Taylor (T), lehimaru-Utsumi (IU), Farid et al. (F), and Sarkar et al. (S) is also investigated. The computed results of the excess entropy compares favourably in the case of liquid alloys while the agreement with experiment is poor in the case of heats of mixing. This may be due to the sensitivity of the heats of mixing with the potential parameters and the dielectric function.
基金supported by the National Natural Science Foundation of China(21976047,22176045,21790373)the Sino-Russian Cooperation Fund of Harbin Engineering University(2021HEUCRF004)the University and Local Integration Development Project of Yantai(2020XDRHXMPT36)。
文摘The electrochemical behaviour of Nd(Ⅲ)ion was investigated on inert W,active Ga and Ga-AI cathodes.It is established that the reduction of Nd(Ⅲ)ion on the inert electrode is a consecutive two-step process while that on the active electrodes is a one-step process.The apparent standard potential of the Nd(Ⅲ)/Nd redox couple at different temperatures was determined by open-circuit chronopotentiometry and semi-differential method,and the relationship between temperature and apparent standard potential was further discussed.The thermodynamic properties of Nd in Ga and Ga-Al electrodes such as activity coefficient and activity were evaluated via intermittent coulomb titration and temperature dependence test,and the effect of temperature on activity coefficient was verified.Finally,Nd was successfully extracted in form of alloy from molten salt by galvanostatic electrolysis,in which the current efficiency of91.7%for the electroextraction indicates that the binary liquid Ga-Al electrode has favorable performance.
文摘This paper deals with a numerical analysis of the evaporation of a thin binary liquid film by forced convection inside a channel constituted by two plates.The first plate is externally insulated and wetted by a thin water ethylene glycol film while the second is dry and isothermal.The first part is concerned with the effects of inlet ambiance conditions and the liquid concentration of ethylene glycol on the distribution of the velocity,temperature,concentrations profiles and the axial variation of the evaporation rate.The second part is focused on the inversion temperature point of the evaporation of binary liquid film.Results show that the inversion temperature phenomenon for the evaporation of binary liquid mixture is observed for high liquid concentration of ethylene glycol.The present results show that in the inlet temperature range considered here,the inversion temperature does not exit for the evaporation of pure ethylene glycol.
基金the financial support of the National Natural Science Foundation of China (21006035, 21076085)Science and Technology Key Project of Guangdong Province (2006A10702004,S2011020001472)the Fundamental Research Funds for the Central Universities, South China University of Technology
文摘The sunlight is the largest single available source of clean and renewable energy to ensure human society's sustainable devel- opment. Owing to their low production cost and high energy conversion efficiency, dye-sensitized solar cells (DSSCs) have been regarded as good alternatives to conventional photovoltaic devices. Herein, a series of composite electrolytes based on poly(ethylene oxide) (PEO) and the binary ionic liquids 1-propyl-3-methy-imidazolium iodide ([PMIm]I) and l-ethyl-3- methylimidazolium thiocyanate ([EMIm][SCN]) were prepared and then applied to fabricate six DSSCs. The composite elec- trolytes were characterized by fourier transform infrared spectroscopy (FTIS), X-ray diffraction (XRD), and electrochemical impedance spectra (EIS). It was shown that the addition of binary ionic liquids would reduce the degree of crystallinity of PEO thus improving the ionic conductivities of the electrolytes by about 2 orders of magnitude. Investigation on the photovoltaic performances of these DSSCs showed that the fill factor (FF) could reach up to 0.67 and energy conversion efficiency (η) could reach up to 4.04% under AM 1.5 full sunlight (100 mW/cm^2).
基金the National Natural Science Foundation of China(51273041)
文摘Physical properties including refractive index, density, viscosity and conductivity for binary mixtures of l-butyl- 3-methyl imidazolium chloride ([BMIM]CI) and different organic solvents at 298.15 K have been investigated. Ex- cess molar volumes have been calculated and obtained data has been fitted by the Redlich-Kister equation. The density and refractive index were found to increase with increasing concentration of [BMIM]CI, however, excep- tions do exist as in the case of dimethyl sulfoxide (DMSO)/[BMIM]CI. For DMSO/[BMIM]CI, the density decreases with increasing concentration. The addition of different organic solvents was able to disrupt the interactions within mixtures, leading to free mobility of ions. The free mobility of ions has been found to enhance conductivity and decrease viscosity to varying extents in all mixtures studied. It has been observed that solubility parameters, dielectric constants and composition of the solvents used play a vital role in determining the resultant properties. The data obtained will play an important role in understanding the effect of the addition of organic solvents in ILs to enhance their applicability.