Physical and mechanical properties variations of lithium slag were systematically investigated by three different ways such as physical, chemical activation, physical-chemical combined activation. Mechanisms of the ce...Physical and mechanical properties variations of lithium slag were systematically investigated by three different ways such as physical, chemical activation, physical-chemical combined activation. Mechanisms of the cementitious properties and hydration process of lithium slag composite cement were studied by XRD and SEM. The results showed that specific surface area increased from 254 to 700 m2/kg while median particle size decreased from 14.97 to 8.45 urn with the increase of grinding time. Physical, chemical activation and combined activation improved the strength and hydration degree of lithium slag composite cement. Compared with original lithium slag, the flexural strength and compressive strength of mortars were improved significantly with the increase of grinding time. A higher strength of the cement with the lithium slag was attained; The sample with 10% lithium slag got the highest strength when the grinding time was 10 min; the compressive strength was higher than OPC at 28 days, which increased by 12.3%. When the Na2SO4 content was 0.6%, the compressive strength increased by 1.4%; when the Al2（SO4）3·18H2O content was 0.4%, the compressive strength increased by 5.8% at 28 days. Compared with the late strength, the improving degree of early strength was larger with the incorporation of activator. The results of XRD and SEM were consistent with the results of mechanical properties; it is also evident that lithium slag composite cement hydration products were mainly AFt, Ca（OH）2, CaSO4·2H2O, and C-S-H gel.展开更多
Viscosity is an important physical parameter of fluid,and the Eyring viscosity equation is a popular viscosity theory.Based on the Eyring reaction rate equation and Boltzmann statistical theory,and including the proba...Viscosity is an important physical parameter of fluid,and the Eyring viscosity equation is a popular viscosity theory.Based on the Eyring reaction rate equation and Boltzmann statistical theory,and including the probabilities of creating a hole in liquid and the transition to the neighboring hole,a modified Eyring viscosity equation was proposed.According to the structural characteristics of short-range order,liquid is treated as a quasi-lattice structure in a small region.The activation energy,which is the minimum energy needed for the molecule to jump to its neighboring hole because of the restriction of other molecules around it,was analytically calculated from an intermolecular Lennard-Jones potential function and a Stockmayer potential function.The viscosity values of 37 kinds of typical liquids at 25°C and the dependence of viscosity of three kinds of liquids on temperatures were calculated with this modified viscosity equation,and the calculated results agree with the experimental values to some extent.This work not only enriches the understanding of the mechanism of liquid viscosity,but also could provide some theoretical guides for the relevant studies and applications.展开更多
Thin nanocomposite fflms based on tin dioxide with a low content of zinc oxide(0.5–5 mol.%)were obtained by the sol–gel method.The synthesized fflms are 300–600 nm thick and contains pore sizes of 19–29 nm.The res...Thin nanocomposite fflms based on tin dioxide with a low content of zinc oxide(0.5–5 mol.%)were obtained by the sol–gel method.The synthesized fflms are 300–600 nm thick and contains pore sizes of 19–29 nm.The resulting ZnO–SnO_(2) fflms were comprehensively studied by atomic force and Kelvin probe force microscopy,X-ray diffraction,scanning electron microscopy,and high-resolution X-ray photoelectron spectroscopy spectra.The photoconductivity parameters on exposure to light with a wavelength of 470 nm were also studied.The study of the photosensitivity kinetics of ZnO–SnO_(2) fflms showed that the fflm with the Zn:Sn ratio equal to 0.5:99.5 has the minimum value of the charge carrier generation time constant.Measurements of the activation energy of the conductivity,potential barrier,and surface potential of ZnO–SnO_(2) fflms showed that these parameters have maxima at ZnO concentrations of 0.5 mol.%and 1 mol.%.Films with 1 mol.%ZnO exhibit high response values when exposed to 5–50 ppm of nitrogen dioxide at operating temperatures of 200℃ and 250℃.展开更多
It is well known that work done on a material by conservative forces (electrical, mechanical, chemical) will increase the Gibbs Potential of the material. The increase in Gibbs Potential can be stored in the material ...It is well known that work done on a material by conservative forces (electrical, mechanical, chemical) will increase the Gibbs Potential of the material. The increase in Gibbs Potential can be stored in the material and is free/available to do work at some later time. However, it will be shown in this paper that while in this state of higher Gibbs potential, the material is metastable and the material will degrade spontaneously/naturally with time in an effort to reach a lower Gibbs Potential. A generalized Gibbs Potential Model is developed herein to better understand its impact on a materials degradation rate. Special attention will be given to dielectrics degradation.展开更多
This work is a simulation model with the LAMMPS calculation code of an electrode based on alkali metal oxides (lithium, sodium and potassium) using the Lennard Jones potential. For a multiplicity of 8*8*8, we studied ...This work is a simulation model with the LAMMPS calculation code of an electrode based on alkali metal oxides (lithium, sodium and potassium) using the Lennard Jones potential. For a multiplicity of 8*8*8, we studied a gap-free model using molecular dynamics. Physical quantities such as volume and pressure of the Na-O and Li-O systems exhibit similar behaviors around the thermodynamic ensembles NPT and NVE. However, for the Na2O system, at a minimum temperature value, we observe a range of total energy values;in contrast, for the Li2O system, a minimum energy corresponds to a range of temperatures. Finally, for physicochemical properties, we studied the diffusion coefficient and activation energy of lithium and potassium oxides around their melting temperatures. The order of magnitude of the diffusion coefficients is given by the relation Dli-O >DNa-O for the multiplicity 8*8*8, while for the activation energy, the order is well reversed EaNa-O > EaLi-O.展开更多
This work is a simulation modelling with the LAMMPS calculation code of an electrode based on alkali metals (lithium, sodium and potassium) using the MEAM potential. For different multiplicities, two models were studi...This work is a simulation modelling with the LAMMPS calculation code of an electrode based on alkali metals (lithium, sodium and potassium) using the MEAM potential. For different multiplicities, two models were studied;with and without gap. In this work, we present the structural, physical and chemical properties of the lithium, sodium and potassium electrodes. For the structural properties, the cohesive energy and the mesh parameters were calculated, revealing that, whatever the chemical element selected, the compact hexagonal hcp structure is the most stable, followed by the face-centred cubic CFC structure, and finally the BCC structure. The most stable structure is lithium, with a cohesion energy of -6570 eV, and the lowest bcc-hcp transition energy of -0.553 eV/atom, followed by sodium. For physical properties, kinetic and potential energies were calculated for each of the sectioned chemical elements, with lithium achieving the highest value. Finally, for the chemical properties, we studied the diffusion coefficient and the activation energy. Only potassium followed an opposite order to the other two, with the quantities with lacunae being greater than those without lacunae, whatever the multiplicity. The order of magnitude of the diffusion coefficients is given by the relationship D<sub>Li</sub> > D<sub>Na</sub> > D<sub>k</sub> for the multiplicity 6*6*6, while for the activation energy the order is reversed.展开更多
The mechanism of oxygen pressure acid leaching of sphalerite catalyzed by Fe^3+/Fe^2+self-precipitation was investigated in this study.Artificial sphalerite was fabricated with varying amounts of iron content via the ...The mechanism of oxygen pressure acid leaching of sphalerite catalyzed by Fe^3+/Fe^2+self-precipitation was investigated in this study.Artificial sphalerite was fabricated with varying amounts of iron content via the sintering of ZnS and FeS and used for the pressure acid leaching experiment.The variations in the potential of the pressure leaching system were investigated by using a self-designed potential autoclave.The results showed that compared to the non-iron sphalerite,there was a violent redox reaction between the 25.70%Fe-artificial sphalerite and dissolved oxygen during the process of pressure leaching;and the catalytic mechanism was attributed to the redox couple Fe^3+/Fe^2+,where Fe3+oxidizes the H2S gas film and the reduced Fe2+state is subsequently oxidized by the dissolved oxygen.Furthermore,the effect of temperature,H2SO4 concentration,and oxygen partial pressure on the artificial sphalerite with different iron contents was studied.The sphalerite samples with iron content were observed to dissolve more easily in sulfuric acid compared to the non-iron samples.Moreover,the activation energy of artificial sphalerite was observed to be lower in the sample with 25.70%iron content(22.26 kJ/mol)compared to that with no iron(32.31 kJ/mol);and the apparent reaction orders were obtained with respect to H2SO4 concentration(1.10 and 1.36)and oxygen partial pressure(1.29 and 1.41),respectively.A comprehensive kinetic model was developed on the basis of the experimental data and the fitted leaching ratio plot;and the kinetic equations for the leaching of sphalerite catalyzed by Fe^3+/Fe^2+self-precipitation were determined.展开更多
基金Funded partly by the National Natural Science Foundation of China(Nos.51378408,51408448)State Key Laboratory of Silicate Materials for Architectures(Wuhan University of Technology)(No.SYSJJ2013-07)
文摘Physical and mechanical properties variations of lithium slag were systematically investigated by three different ways such as physical, chemical activation, physical-chemical combined activation. Mechanisms of the cementitious properties and hydration process of lithium slag composite cement were studied by XRD and SEM. The results showed that specific surface area increased from 254 to 700 m2/kg while median particle size decreased from 14.97 to 8.45 urn with the increase of grinding time. Physical, chemical activation and combined activation improved the strength and hydration degree of lithium slag composite cement. Compared with original lithium slag, the flexural strength and compressive strength of mortars were improved significantly with the increase of grinding time. A higher strength of the cement with the lithium slag was attained; The sample with 10% lithium slag got the highest strength when the grinding time was 10 min; the compressive strength was higher than OPC at 28 days, which increased by 12.3%. When the Na2SO4 content was 0.6%, the compressive strength increased by 1.4%; when the Al2（SO4）3·18H2O content was 0.4%, the compressive strength increased by 5.8% at 28 days. Compared with the late strength, the improving degree of early strength was larger with the incorporation of activator. The results of XRD and SEM were consistent with the results of mechanical properties; it is also evident that lithium slag composite cement hydration products were mainly AFt, Ca（OH）2, CaSO4·2H2O, and C-S-H gel.
基金supported by the Guangdong Science and Technology Project (Grant Nos. 2009B030801077 and 2010B050300007)
文摘Viscosity is an important physical parameter of fluid,and the Eyring viscosity equation is a popular viscosity theory.Based on the Eyring reaction rate equation and Boltzmann statistical theory,and including the probabilities of creating a hole in liquid and the transition to the neighboring hole,a modified Eyring viscosity equation was proposed.According to the structural characteristics of short-range order,liquid is treated as a quasi-lattice structure in a small region.The activation energy,which is the minimum energy needed for the molecule to jump to its neighboring hole because of the restriction of other molecules around it,was analytically calculated from an intermolecular Lennard-Jones potential function and a Stockmayer potential function.The viscosity values of 37 kinds of typical liquids at 25°C and the dependence of viscosity of three kinds of liquids on temperatures were calculated with this modified viscosity equation,and the calculated results agree with the experimental values to some extent.This work not only enriches the understanding of the mechanism of liquid viscosity,but also could provide some theoretical guides for the relevant studies and applications.
基金The authors are grateful to the PHENMA 2021–2022 conference for the possibility of manuscript publication.The research was carried out at the expense of the grant of the Russian Science Foundation No.22-29-00621,(https://rscf.ru/project/22-29-00621/)at the Southern Federal University.
文摘Thin nanocomposite fflms based on tin dioxide with a low content of zinc oxide(0.5–5 mol.%)were obtained by the sol–gel method.The synthesized fflms are 300–600 nm thick and contains pore sizes of 19–29 nm.The resulting ZnO–SnO_(2) fflms were comprehensively studied by atomic force and Kelvin probe force microscopy,X-ray diffraction,scanning electron microscopy,and high-resolution X-ray photoelectron spectroscopy spectra.The photoconductivity parameters on exposure to light with a wavelength of 470 nm were also studied.The study of the photosensitivity kinetics of ZnO–SnO_(2) fflms showed that the fflm with the Zn:Sn ratio equal to 0.5:99.5 has the minimum value of the charge carrier generation time constant.Measurements of the activation energy of the conductivity,potential barrier,and surface potential of ZnO–SnO_(2) fflms showed that these parameters have maxima at ZnO concentrations of 0.5 mol.%and 1 mol.%.Films with 1 mol.%ZnO exhibit high response values when exposed to 5–50 ppm of nitrogen dioxide at operating temperatures of 200℃ and 250℃.
文摘It is well known that work done on a material by conservative forces (electrical, mechanical, chemical) will increase the Gibbs Potential of the material. The increase in Gibbs Potential can be stored in the material and is free/available to do work at some later time. However, it will be shown in this paper that while in this state of higher Gibbs potential, the material is metastable and the material will degrade spontaneously/naturally with time in an effort to reach a lower Gibbs Potential. A generalized Gibbs Potential Model is developed herein to better understand its impact on a materials degradation rate. Special attention will be given to dielectrics degradation.
文摘This work is a simulation model with the LAMMPS calculation code of an electrode based on alkali metal oxides (lithium, sodium and potassium) using the Lennard Jones potential. For a multiplicity of 8*8*8, we studied a gap-free model using molecular dynamics. Physical quantities such as volume and pressure of the Na-O and Li-O systems exhibit similar behaviors around the thermodynamic ensembles NPT and NVE. However, for the Na2O system, at a minimum temperature value, we observe a range of total energy values;in contrast, for the Li2O system, a minimum energy corresponds to a range of temperatures. Finally, for physicochemical properties, we studied the diffusion coefficient and activation energy of lithium and potassium oxides around their melting temperatures. The order of magnitude of the diffusion coefficients is given by the relation Dli-O >DNa-O for the multiplicity 8*8*8, while for the activation energy, the order is well reversed EaNa-O > EaLi-O.
文摘This work is a simulation modelling with the LAMMPS calculation code of an electrode based on alkali metals (lithium, sodium and potassium) using the MEAM potential. For different multiplicities, two models were studied;with and without gap. In this work, we present the structural, physical and chemical properties of the lithium, sodium and potassium electrodes. For the structural properties, the cohesive energy and the mesh parameters were calculated, revealing that, whatever the chemical element selected, the compact hexagonal hcp structure is the most stable, followed by the face-centred cubic CFC structure, and finally the BCC structure. The most stable structure is lithium, with a cohesion energy of -6570 eV, and the lowest bcc-hcp transition energy of -0.553 eV/atom, followed by sodium. For physical properties, kinetic and potential energies were calculated for each of the sectioned chemical elements, with lithium achieving the highest value. Finally, for the chemical properties, we studied the diffusion coefficient and the activation energy. Only potassium followed an opposite order to the other two, with the quantities with lacunae being greater than those without lacunae, whatever the multiplicity. The order of magnitude of the diffusion coefficients is given by the relationship D<sub>Li</sub> > D<sub>Na</sub> > D<sub>k</sub> for the multiplicity 6*6*6, while for the activation energy the order is reversed.
基金Projects(51804136,51764016)supported by the National Natural Science Foundation of ChinaProject(U1402271)supported by the Joint Funds of the National Natural Science Foundation of China+2 种基金Project(20181BAB216017)supported by the Jiangxi Provincial Natural Science Foundation,ChinaProject(GK-201803)supported by the Research Fund Program of State Key Laboratory of Rare Metals Separation and Comprehensive Utilization,ChinaProjects(yy2016001,yy2016012)supported by the Research Fund Program of the State Key Laboratory of Pressure Hydrometallurgical Technology of Associated Nonferrous Metal Resources,China。
文摘The mechanism of oxygen pressure acid leaching of sphalerite catalyzed by Fe^3+/Fe^2+self-precipitation was investigated in this study.Artificial sphalerite was fabricated with varying amounts of iron content via the sintering of ZnS and FeS and used for the pressure acid leaching experiment.The variations in the potential of the pressure leaching system were investigated by using a self-designed potential autoclave.The results showed that compared to the non-iron sphalerite,there was a violent redox reaction between the 25.70%Fe-artificial sphalerite and dissolved oxygen during the process of pressure leaching;and the catalytic mechanism was attributed to the redox couple Fe^3+/Fe^2+,where Fe3+oxidizes the H2S gas film and the reduced Fe2+state is subsequently oxidized by the dissolved oxygen.Furthermore,the effect of temperature,H2SO4 concentration,and oxygen partial pressure on the artificial sphalerite with different iron contents was studied.The sphalerite samples with iron content were observed to dissolve more easily in sulfuric acid compared to the non-iron samples.Moreover,the activation energy of artificial sphalerite was observed to be lower in the sample with 25.70%iron content(22.26 kJ/mol)compared to that with no iron(32.31 kJ/mol);and the apparent reaction orders were obtained with respect to H2SO4 concentration(1.10 and 1.36)and oxygen partial pressure(1.29 and 1.41),respectively.A comprehensive kinetic model was developed on the basis of the experimental data and the fitted leaching ratio plot;and the kinetic equations for the leaching of sphalerite catalyzed by Fe^3+/Fe^2+self-precipitation were determined.
