The accurate reduced potential energies for two binary gas mixtures including benzene- methanol and methane-tetrafluoromethane at low density have been obtained by direct inversion of the viscosity collision integral ...The accurate reduced potential energies for two binary gas mixtures including benzene- methanol and methane-tetrafluoromethane at low density have been obtained by direct inversion of the viscosity collision integral equations. The kinetic theory along with the extended principle of corresponding-states has been used to calculate the viscosity and dif- fusion coefficients over a wide range of temperature and composition. Good agreements between calculated and experimental data are obtained.展开更多
Densities and viscosities were measured as a function of composition for binary liquid mixture of diethylerie glycol monoethyl ether [CH3CH2O(CH2)2O(CH2)2OH] + water from 293.15 to 333.15 K at atmospheric pressur...Densities and viscosities were measured as a function of composition for binary liquid mixture of diethylerie glycol monoethyl ether [CH3CH2O(CH2)2O(CH2)2OH] + water from 293.15 to 333.15 K at atmospheric pressure, with a capillary pycnometer and Ubbelohde capillary viscometer respectively. From the experimental data, the excess molar volume V^E, viscosity deviation △η, and the excess energy of activation for viscous flow △G^*E were calculated. These data were correlated by the Redlich-Kister type equations to obtain the coefficients and standard deviations. The results showed a strong molecular interaction between diethylene glycol monoethyl ether and water.展开更多
The present paper renders a modeling and a 2D numerical simulation for the removal of CO_2from CO_2/CH_4gaseous stream utilizing sodium hydroxide(NaOH),monoethanolamine(MEA)and triethanolamine(TEA)liquid absorbents in...The present paper renders a modeling and a 2D numerical simulation for the removal of CO_2from CO_2/CH_4gaseous stream utilizing sodium hydroxide(NaOH),monoethanolamine(MEA)and triethanolamine(TEA)liquid absorbents inside the hollow fiber membrane contactor.Counter-current arrangement of absorbing agents and CO_2/CH_4gaseous mixture flows are implemented in the modeling and numerical simulation.Non-wetting and partial wetting modes of operation are considered where in the partial wetting mode,CO_2/CH_4gaseous mixture and liquid absorbents fill the membrane pores.The deteriorated removal of CO_2in the partial wetting mode of operation is mainly due to the mass transfer resistance imposed by the liquid in the pores of membrane.The validation of numerical simulation is done based on the comparison of simulation results of CO_2removal using Na OH and experimental data under non-wetting mode of operation.The comparison illustrates a desirable agreement with an average deviation of less than 5%.According to the results,MEA provides higher efficiency for CO_2removal in comparison with the other liquid absorbents.The order for CO_2removal performance is MEAN Na OHN TEA.The influence of non-wetting and partial wetting modes of operation on CO_2removal are evaluated in this article as one of the novelties.Besides,the percentage of CO_2sequestration as a function of gas velocity for various percentages of membrane pores wetting ranging from 0(non-wetting mode of operation)to 100%(complete wetting mode of operation)is studied in this research paper,which can be proposed as the other novelty.The results indicate that increase in some operational parameters such as module length,membrane porosity and absorbents concentration encourage the removal percentage of CO_2from CO_2/CH_4gaseous mixture while increasing in membrane tortuosity,gas velocity and initial CO_2concentration has unfavorable influence on the separation efficiency of CO_2.展开更多
Fully atomistic molecular dynamics (MD) simulations at 293, 303 and 313 K have been performed for the four- component liquid crystal mixture, E7, using the software package Material Studio. Order parameters and orie...Fully atomistic molecular dynamics (MD) simulations at 293, 303 and 313 K have been performed for the four- component liquid crystal mixture, E7, using the software package Material Studio. Order parameters and orientational time correlation functions (TCFs) were calculated from MD trajectories. The rotational viscosity coefficients (RVCs) of the mixture were calculated using the Nemtsov-Zakharov and Fialkowski methods based on statistical-mechanical approaches. Temperature dependences of RVC and density were discussed in detail. Reasonable agreement between the simulated and experimental values was found.展开更多
The density and viscosity of 1-butyl-3-methylimidazolium tetrafluoroborate[BMIM][BF4]and 1-butyl-3-methylimidazolium chloride[BMIM][Cl]and their binary mixtures within the temperatures from 303.15 K to323.15 K and at ...The density and viscosity of 1-butyl-3-methylimidazolium tetrafluoroborate[BMIM][BF4]and 1-butyl-3-methylimidazolium chloride[BMIM][Cl]and their binary mixtures within the temperatures from 303.15 K to323.15 K and at ambient pressure were determined in this work.The temperature dependences of density and viscosity were satisfactorily described with the linear model and the Vogel-Tammann-Fulcher type equation,respectively.The molar volume and viscosity of binary IL mixtures were predicted through ideal mixing rules showing that almost null deviations for IL mixtures were observed and their mixing was remarkably close to linear ideal behavior in the molar volumes,while comparatively large errors in viscosity occurred.Additionally,the molar volume of the investigated pure ILs and their mixtures could well be predicted by a predictive model presented by Valderrama et al.(Fluid Phase Equilib.,275(2009)145).展开更多
The flow fields inside conventional and rotary hydrocyclones were simulated respectively. In these simulations, water only and oil-water mixture, with distinctly different viscosities, were used as continuous phases. ...The flow fields inside conventional and rotary hydrocyclones were simulated respectively. In these simulations, water only and oil-water mixture, with distinctly different viscosities, were used as continuous phases. Simulation results agreed well with the experimental measurements. Simulation results showed that the conventional hydrocyclone could effectively separate sand from water, but could not separate sand from high viscosity water/oil emulsion. This showed that the viscosity of continuous phases influenced greatly both the separation efficiency and the flow field distribution in the conventional hydrocyclone. For high viscosity oil/water sand dispersion (mixture), the rotary hydrocyclone has better separation performance than the conventional one, with a more favorable flow field distribution.展开更多
The dynamics of unsteady magnetohydrodynamic convective fluid flow with radiation and thermophoresis of particles past a vertical porous plate moving through a binary mixture in an optically thin environment is invest...The dynamics of unsteady magnetohydrodynamic convective fluid flow with radiation and thermophoresis of particles past a vertical porous plate moving through a binary mixture in an optically thin environment is investigated. The approximate form of the radiative heat flux is considered as the fourth power of temperature. Chemical reaction that occurs as the chemically reacting fluid flow through binary mixture is accounted for in energy and species concentration equations. Exponential space dependent heat source is introduced to generate additional heat energy across the fluid domain. The corresponding influence of heat energy is properly accounted for. It is assumed that viscosity and thermal conductivity vary as a linear function of temperature. The governing boundary layer equations are converted to nonlinear ordinary differential equations using similarity variables. A novel method of obtaining root finding starting with three guesses in shooting techniques is presented. The corresponding nonlinear coupled ordinary differential equations is solved numerically by shooting technique along with quadratic interpolation scheme. Graphical results of the dimensionless velocity, temperature and concentration distributions are shown for certain pertinent parameters controlling the fluid flow. The quadratic interpolation method is found to produce better estimated values of , which satisfy the degree of accuracy and proportional to the physical quantities.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
Density, viscosity and sound velocity of six binary liquid mixtures of methanol, ethanol, propanol, butanol, hexanol and octanol with 1,4-dioxane have been measured over the entire range of composition at temperature ...Density, viscosity and sound velocity of six binary liquid mixtures of methanol, ethanol, propanol, butanol, hexanol and octanol with 1,4-dioxane have been measured over the entire range of composition at temperature 303.15K. From the experimental densities, viscosities and sound velocity, the excess molar volume (<i>V<sup>E</sup></i>), deviation in viscosity (Δ<i>η</i>) and deviation in isentropic compressibility (Δ<i>K<sub>S</sub></i>) have been calculated. The results have been used to discuss the nature and strength of intermolecular interactions in these mixtures.展开更多
Several mixtures,based on urea derivatives and some inorganic oxidants,including also alumina,were studied by means of ballistic mortar techniques with TNT as the reference standard.The detonation pressure(P),detonati...Several mixtures,based on urea derivatives and some inorganic oxidants,including also alumina,were studied by means of ballistic mortar techniques with TNT as the reference standard.The detonation pressure(P),detonation velocity(D),detonation energy(Q),and volume of gaseous product at standard temperature and pressure(STP),V,were calculated using EXPLO5V6.3 thermochemical code.The performance of the mixtures studied was discussed in relation to their thermal reactivity,determined by means of differential thermal analysis(DTA).It is shown that the presence of hydrogen peroxide in the form of its complex with urea(i.e.as UHP)has a positive influence on the explosive strength of the corresponding mixtures which is linked to the hydroxy-radical formation in the mixtures during their initiation reaction.These radicals might initiate(at least partially)powdered aluminum into oxidation in the CJ plane of the detonation wave.Mixtures containing UHP and magnesium are dangerous because of potential auto-ignition.展开更多
文摘The accurate reduced potential energies for two binary gas mixtures including benzene- methanol and methane-tetrafluoromethane at low density have been obtained by direct inversion of the viscosity collision integral equations. The kinetic theory along with the extended principle of corresponding-states has been used to calculate the viscosity and dif- fusion coefficients over a wide range of temperature and composition. Good agreements between calculated and experimental data are obtained.
文摘Densities and viscosities were measured as a function of composition for binary liquid mixture of diethylerie glycol monoethyl ether [CH3CH2O(CH2)2O(CH2)2OH] + water from 293.15 to 333.15 K at atmospheric pressure, with a capillary pycnometer and Ubbelohde capillary viscometer respectively. From the experimental data, the excess molar volume V^E, viscosity deviation △η, and the excess energy of activation for viscous flow △G^*E were calculated. These data were correlated by the Redlich-Kister type equations to obtain the coefficients and standard deviations. The results showed a strong molecular interaction between diethylene glycol monoethyl ether and water.
文摘The present paper renders a modeling and a 2D numerical simulation for the removal of CO_2from CO_2/CH_4gaseous stream utilizing sodium hydroxide(NaOH),monoethanolamine(MEA)and triethanolamine(TEA)liquid absorbents inside the hollow fiber membrane contactor.Counter-current arrangement of absorbing agents and CO_2/CH_4gaseous mixture flows are implemented in the modeling and numerical simulation.Non-wetting and partial wetting modes of operation are considered where in the partial wetting mode,CO_2/CH_4gaseous mixture and liquid absorbents fill the membrane pores.The deteriorated removal of CO_2in the partial wetting mode of operation is mainly due to the mass transfer resistance imposed by the liquid in the pores of membrane.The validation of numerical simulation is done based on the comparison of simulation results of CO_2removal using Na OH and experimental data under non-wetting mode of operation.The comparison illustrates a desirable agreement with an average deviation of less than 5%.According to the results,MEA provides higher efficiency for CO_2removal in comparison with the other liquid absorbents.The order for CO_2removal performance is MEAN Na OHN TEA.The influence of non-wetting and partial wetting modes of operation on CO_2removal are evaluated in this article as one of the novelties.Besides,the percentage of CO_2sequestration as a function of gas velocity for various percentages of membrane pores wetting ranging from 0(non-wetting mode of operation)to 100%(complete wetting mode of operation)is studied in this research paper,which can be proposed as the other novelty.The results indicate that increase in some operational parameters such as module length,membrane porosity and absorbents concentration encourage the removal percentage of CO_2from CO_2/CH_4gaseous mixture while increasing in membrane tortuosity,gas velocity and initial CO_2concentration has unfavorable influence on the separation efficiency of CO_2.
基金Project supported by the National Natural Science Foundation of China (Grant Nos 60578035 and 60736042)
文摘Fully atomistic molecular dynamics (MD) simulations at 293, 303 and 313 K have been performed for the four- component liquid crystal mixture, E7, using the software package Material Studio. Order parameters and orientational time correlation functions (TCFs) were calculated from MD trajectories. The rotational viscosity coefficients (RVCs) of the mixture were calculated using the Nemtsov-Zakharov and Fialkowski methods based on statistical-mechanical approaches. Temperature dependences of RVC and density were discussed in detail. Reasonable agreement between the simulated and experimental values was found.
基金Supported by the National Basic Research Program of China(2015CB251401)the National Natural Science Foundation of China(21878025,21776069,21476070).
文摘The density and viscosity of 1-butyl-3-methylimidazolium tetrafluoroborate[BMIM][BF4]and 1-butyl-3-methylimidazolium chloride[BMIM][Cl]and their binary mixtures within the temperatures from 303.15 K to323.15 K and at ambient pressure were determined in this work.The temperature dependences of density and viscosity were satisfactorily described with the linear model and the Vogel-Tammann-Fulcher type equation,respectively.The molar volume and viscosity of binary IL mixtures were predicted through ideal mixing rules showing that almost null deviations for IL mixtures were observed and their mixing was remarkably close to linear ideal behavior in the molar volumes,while comparatively large errors in viscosity occurred.Additionally,the molar volume of the investigated pure ILs and their mixtures could well be predicted by a predictive model presented by Valderrama et al.(Fluid Phase Equilib.,275(2009)145).
文摘The flow fields inside conventional and rotary hydrocyclones were simulated respectively. In these simulations, water only and oil-water mixture, with distinctly different viscosities, were used as continuous phases. Simulation results agreed well with the experimental measurements. Simulation results showed that the conventional hydrocyclone could effectively separate sand from water, but could not separate sand from high viscosity water/oil emulsion. This showed that the viscosity of continuous phases influenced greatly both the separation efficiency and the flow field distribution in the conventional hydrocyclone. For high viscosity oil/water sand dispersion (mixture), the rotary hydrocyclone has better separation performance than the conventional one, with a more favorable flow field distribution.
文摘The dynamics of unsteady magnetohydrodynamic convective fluid flow with radiation and thermophoresis of particles past a vertical porous plate moving through a binary mixture in an optically thin environment is investigated. The approximate form of the radiative heat flux is considered as the fourth power of temperature. Chemical reaction that occurs as the chemically reacting fluid flow through binary mixture is accounted for in energy and species concentration equations. Exponential space dependent heat source is introduced to generate additional heat energy across the fluid domain. The corresponding influence of heat energy is properly accounted for. It is assumed that viscosity and thermal conductivity vary as a linear function of temperature. The governing boundary layer equations are converted to nonlinear ordinary differential equations using similarity variables. A novel method of obtaining root finding starting with three guesses in shooting techniques is presented. The corresponding nonlinear coupled ordinary differential equations is solved numerically by shooting technique along with quadratic interpolation scheme. Graphical results of the dimensionless velocity, temperature and concentration distributions are shown for certain pertinent parameters controlling the fluid flow. The quadratic interpolation method is found to produce better estimated values of , which satisfy the degree of accuracy and proportional to the physical quantities.
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.
文摘Density, viscosity and sound velocity of six binary liquid mixtures of methanol, ethanol, propanol, butanol, hexanol and octanol with 1,4-dioxane have been measured over the entire range of composition at temperature 303.15K. From the experimental densities, viscosities and sound velocity, the excess molar volume (<i>V<sup>E</sup></i>), deviation in viscosity (Δ<i>η</i>) and deviation in isentropic compressibility (Δ<i>K<sub>S</sub></i>) have been calculated. The results have been used to discuss the nature and strength of intermolecular interactions in these mixtures.
基金supported by means of the financial resources of Students Grant Projects No.SGSFCHT_2016002 of the Faculty of Chemical Technology at the University of Pardubice
文摘Several mixtures,based on urea derivatives and some inorganic oxidants,including also alumina,were studied by means of ballistic mortar techniques with TNT as the reference standard.The detonation pressure(P),detonation velocity(D),detonation energy(Q),and volume of gaseous product at standard temperature and pressure(STP),V,were calculated using EXPLO5V6.3 thermochemical code.The performance of the mixtures studied was discussed in relation to their thermal reactivity,determined by means of differential thermal analysis(DTA).It is shown that the presence of hydrogen peroxide in the form of its complex with urea(i.e.as UHP)has a positive influence on the explosive strength of the corresponding mixtures which is linked to the hydroxy-radical formation in the mixtures during their initiation reaction.These radicals might initiate(at least partially)powdered aluminum into oxidation in the CJ plane of the detonation wave.Mixtures containing UHP and magnesium are dangerous because of potential auto-ignition.