The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this wo...The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this work.The following properties were determined:density,self-diffusion coefficient,excess molar volume,and radial distribution function.The results show that with an increase in the mole fraction of[HPy][BF_(4)],the self-diffusion coefficient decreases.Additionally,the excess molar volume initially decreases,reaches a minimum,and then increases.The rules of radial distribution functions(RDFs)of characteristic atoms are different.With increasing the mole fraction of[HPy][BF_(4)],the first peak of the RDFs of HA1-F decreases,while that of CT6-CT6 rises at first and then decreases.This indicates that the solvent molecules affect the polar and non-polar regions of[HPy][BF_(4)]differently.展开更多
We introduce our state-of-the art of“vacuum consistent electrochemistry”to an investigation of the interfaces between oxides and ionic liquid(IL).Pulsed laser deposition(PLD)has been one of the powerful and sophisti...We introduce our state-of-the art of“vacuum consistent electrochemistry”to an investigation of the interfaces between oxides and ionic liquid(IL).Pulsed laser deposition(PLD)has been one of the powerful and sophisticated techniques to realize nanoscale preparation of high-quality epitaxial oxide thin films.On the other hand,electrochemistry is a simple,very sensitive,and non-destructive analysis technique for solid-liquid interfaces.To ensure the reproducibility in experiment of the interfaces of such epitaxial oxide films,as well as bulk oxide single-crystals,with IL,we employ a home-built PLD-electrochemical(EC)system with IL as an electrolyte.The system allows one to perform all-in-vacuum experiments during the preparation of well-defined oxide electrode surfaces to their electrochemical analyses.The topics include electrochemical evaluations of the oxide’s own properties,such as carrier density and relative permittivity,and the interfacial properties of oxides in contact with IL,such as flat band potential and electric double layer(EDL)capacitance,ending with future perspectives in all-solid-state electrochemistry.展开更多
The memory behavior in liquid crystals(LCs)that is characterized by low cost,large area,high speed,and high-density memory has evolved from a mere scientific curiosity to a technology that is being applied in a variet...The memory behavior in liquid crystals(LCs)that is characterized by low cost,large area,high speed,and high-density memory has evolved from a mere scientific curiosity to a technology that is being applied in a variety of commodities.In this study,we utilized molybdenum disulfide(MoS_(2))nanoflakes as the guest in a homotropic LCs host to modulate the overall memory effect of the hybrid.It was found that the MoS₂nanoflakes within the LCs host formed agglomerates,which in turn resulted in an accelerated response of the hybrids to the external electric field.However,this process also resulted in a slight decrease in the threshold voltage.Additionally,it was observed that MoS₂nanoflakes in a LCs host tend to align homeotropically under an external electric field,thereby accelerating the refreshment of the memory behavior.The incorporation of a mass fraction of 0.1%2μm MoS₂nanoflakes into the LCs host was found to significantly reduce the refreshing memory behavior in the hybrid to 94.0 s under an external voltage of 5 V.These findings illustrate the efficacy of regulating the rate of memory behavior for a variety of potential applications.展开更多
Ultrathin 2D niobium oxide dichloride(NbOCl_(2))is an emerging member of the 2D ferroelectric material family with extensive potential to provide multifunctionality in electronic devices and nanophotonics elements.It ...Ultrathin 2D niobium oxide dichloride(NbOCl_(2))is an emerging member of the 2D ferroelectric material family with extensive potential to provide multifunctionality in electronic devices and nanophotonics elements.It exhibits negligible interlayer electronic coupling and significant excitonic behavior in the bulk state.Here we substantiate that NbOCl_(2) nanosheets can be exfoliated and effectively size-selected using controlled centrifugation techniques by the liquid phase exfoliation(LPE)method.Spectroscopic measurements displayed that the variations in dispersion were highly dependent on the nanosheet dimensions.The nanosheets seemed to be comparatively defect-free which will be further corroborated by high resolution transmission electron microscopy(HRTEM)and Raman analysis.The size selected nanosheets are unanticipated stable in isopropyl alcohol(IPA),possibly owing to the protective influence of a solvation shell.Additionally,the photothermal conversion response and photothermal stability of nanosized NbOCl_(2) were investigated.Our finding revealed that NbOCl_(2) possesses a robust photothermal agent property,boasting a photothermal conversion efficiency of more than 30%.This underscores its promising potential for various photothermal applications in different fields such as photothermal therapy and thermal energy conversion.展开更多
Flammable ionic liquids exhibit high conductivity and a broad electrochemical window,enabling the generation of combustible gases for combustion via electrochemical decomposition and thermal decomposition.This charact...Flammable ionic liquids exhibit high conductivity and a broad electrochemical window,enabling the generation of combustible gases for combustion via electrochemical decomposition and thermal decomposition.This characteristic holds significant implications in the realm of novel satellite propulsion.Introducing a fraction of the electrical energy into energetic ionic liquid fuels,the thermal decomposition process is facilitated by reducing the apparent activation energy required,and electrical energy can trigger the electrochemical decomposition of ionic liquids,presenting a promising approach to enhance combustion efficiency and energy release.This study applied an external voltage during the thermal decomposition of 1-ethyl-3-methylimidazole nitrate([EMIm]NO_(3)),revealing the effective alteration of the activation energy of[EMIm]NO_(3).The pyrolysis,electrochemical decomposition,and electron assisted enhancement products were identified through Thermogravimetry-Differential scanning calorimetry-Fourier transform infrared-Mass spectrometry(TG-DSC-FTIR-MS)and gas chromatography(GC)analyses,elucidating the degradation mechanism of[EMIm]NO_(3).Furthermore,an external voltage was introduced during the combustion of[EMIm]NO_(3),demonstrating the impact of voltage on the combustion process.展开更多
In this work,tensile mechanical behavior of 316L steels fabricated by three different processing methods(casting,powder extrusion printing(PEP)and laser powder bed fusion(LPBF))was studied in the presence of liquid le...In this work,tensile mechanical behavior of 316L steels fabricated by three different processing methods(casting,powder extrusion printing(PEP)and laser powder bed fusion(LPBF))was studied in the presence of liquid lead-bismuth eutectic(LBE)and air at 350℃.The results show that all three steels tested in LBE are not subjected to evident degradation of tensile elongation to failure and strength compared to those tested in air,suggesting that LME does not occur regardless of the processing methods.The LPBF 316L steel exhibits the highest yield strength(420-435 MPa),followed by casting 316 L(~242 MPa)and PEP 316L(146-165 MPa).Ultimate tensile strength of three steels is comparable and ranges from 427 to 485 MPa.The PEP and casting 316L steels have similar total elongation to failure(i.e.,40.0%-43.8%),whereas this property decreases markedly to 18.6%-19.5% for the LPBF 316 L steel.The superior strength and relatively low ductility of the LPBF 316L steel can be attributed to nanosized dislocations trapped at cell structures which can produce a remarkable strengthening effect to the steel matrix.By contrast,due to massive residual micropores,the PEP 316L steel has the lowest strength.展开更多
The geological structure of coal seams in China is remarkably varied and complex,with coalbed methane reservoirs marked by significant heterogeneity and low permeability,creating substantial technical challenges for e...The geological structure of coal seams in China is remarkably varied and complex,with coalbed methane reservoirs marked by significant heterogeneity and low permeability,creating substantial technical challenges for efficient extraction.This study systematically investigates the impact of liquid nitrogen immersion(LNI)on the coal’s pore structure and its mechanism of enhancing permeability with a combination of quantitative nuclear magnetic resonance(NMR)analysis,nitrogen adsorption experiments,and fractal dimension calculations.The results demonstrate that LNI can damage the coal’s pore structure and promote fracture expansion through thermal stress induction and moisture phase transformation,thereby enhancing the permeability of coal seams.The T_(2)peak area in the NMR experiments on coal samples subjected to LNI treatment shows a significant increase,the Brunauer-Emmett-Teller(BET)specific surface area decreases to 6.02 m^(2)/g,and the Barrett-Joyner-Halenda(BJH)total pore volume increases to 14.99 mm^(3)/g.Furthermore,changes in fractal dimensions(D_(1)rising from 2.804 to 2.837,and D_(2)falling from 2.757 to 2.594)indicate a notable enhancement in the complexity of the pore structure.With increasing LNI cycles,the adsorption capacity of the coal samples diminishes,suggesting a significant optimization of the pore structure.This optimization is particularly evident in the reconstruction of the micropore structure,which in turn greatly enhances the complexity and connectivity of the sample’s pore network.In summary,the study concludes that LNI technology can effectively improve the permeability of coal seams and the extraction efficiency of coalbed methane by optimizing the micropore structure and enhancing pore connectivity,which offers a potential method for enhancing the permeability of gas-bearing coal seams and facilitating the development and utilization of coalbed methane.展开更多
In order to study the action mechanism of Sacha Inchi polypeptide in liquid crystal emulsion,oil-in-water liquid crystal emulsions with Sacha Inchi fermented polypeptide as the active component were prepared.The micro...In order to study the action mechanism of Sacha Inchi polypeptide in liquid crystal emulsion,oil-in-water liquid crystal emulsions with Sacha Inchi fermented polypeptide as the active component were prepared.The microstructures,particle sizes,stabilities,thermodynamic properties,and rheological properties of liquid crystal emulsions with different concentrations of the fermentation products were observed by Polarizing microscope,Particle size meter,Thermogravimetric differential thermal synchronous measurement system,and Rheometer,respectively.The results showed that the average particle size of fermented peptide liquid crystal emulsion was(25.7±2.8)μm,and the liquid crystal structure was complete and stable.The content of bound water and liquid crystal in the emulsion with 1%Sacha Inchi polypeptide were higher than those in the blank emulsion and the emulsions with 3%and 5%Sacha Inchi polypeptide.Rheological results indicated that the viscosity of liquid crystal emulsion with the change curve of shear rate registered the shear thinning phenomenon,which belongs to non-Newtonian fluid.The hysteresis area,energy storage modulus,and loss modulus of the 1%additive amount of liquid crystal emulsion were larger than those of the blank emulsion and the emulsions with 3%and 5%Sacha Inchi polypeptide,indicating greater thixotropy and stronger shear resistance.The hydrophilic amino acid residues of the peptide in the 1%additive amount of the emulsion were combined with the water phase,while the hydrophobic amino acid residues of the peptide entered the oil phase,which formed a viscoelastic film at the oil-water interface,so that the liquid crystal emulsion had a more stable gel network structure.展开更多
The electrochemical behavior of Al(Ⅲ)in urea-1-butyl-3-methylimidazolium chloride-aluminum chloride(urea-BMIC-AlCl_(3))ionic liquids,and the effect of potential and temperature on the characterization of cathode prod...The electrochemical behavior of Al(Ⅲ)in urea-1-butyl-3-methylimidazolium chloride-aluminum chloride(urea-BMIC-AlCl_(3))ionic liquids,and the effect of potential and temperature on the characterization of cathode products,current efficiency and energy consumption of aluminum electrorefining have been investigated.Cyclic voltammetry showed that the electrochemical reduction of Al(Ⅲ)was a one-step three-electron-transfer irreversible reaction,and the electrochemical reaction was controlled by diffusion.The diffusion coefficient of Al(Ⅲ)in urea-BMIC-AlCl_(3)ionic liquids at 313 K was 1.94×10^(−7)cm^(2)/s.The 7075 aluminum alloy was used as an anode for electrorefining,and the cathode products were analyzed by XRD,SEM and EDS.The results from XRD analysis indicated that the main phase of the cathode products was aluminum.The results from SEM and EDS characterization revealed that the cathode product obtained by electrorefining−1.2 V(vs.Al)was dense and uniform,and the mass fraction of aluminum decreased from 99.61%to 99.10%as the experimental temperature increased from 313 K to 333 K.In this work,the optimum experimental conditions were−1.2 V(vs.Al)and 313 K.At this time,the cathode current efficiency was 97.80%,while the energy consumption was 3.72 kW·h/kg.展开更多
As the simplest hydrogen-bonded alcohol,liquid methanol has attracted intensive experimental and theoretical interest.However,theoretical investigations on this system have primarily relied on empirical intermolecular...As the simplest hydrogen-bonded alcohol,liquid methanol has attracted intensive experimental and theoretical interest.However,theoretical investigations on this system have primarily relied on empirical intermolecular force fields or ab initio molecular dynamics with semilocal density functionals.Inspired by recent studies on bulk water using increasingly accurate machine learning force fields,we report a new machine learning force field for liquid methanol with a hybrid functional revPBE0 plus dispersion correction.Molecular dynamics simulations on this machine learning force field are orders of magnitude faster than ab initio molecular dynamics simulations,yielding the radial distribution functions,selfdiffusion coefficients,and hydrogen bond network properties with very small statistical errors.The resulting structural and dynamical properties are compared well with the experimental data,demonstrating the superior accuracy of this machine learning force field.This work represents a successful step toward a first-principles description of this benchmark system and showcases the general applicability of the machine learning force field in studying liquid systems.展开更多
One of the challenges for bimetal manufacturing is the joining process.Hence,transient liquid phase(TLP)bonding was performed between 304L stainless steel and Cp-Ti using an Ag-Cu interlayer with a thickness of 75μm ...One of the challenges for bimetal manufacturing is the joining process.Hence,transient liquid phase(TLP)bonding was performed between 304L stainless steel and Cp-Ti using an Ag-Cu interlayer with a thickness of 75μm for bonding time of 20,40,60,and 90 min.The bonding temperature of 860℃ was considered,which is under the β transus temperature of Cp-Ti.During TLP bonding,various intermetallic compounds(IMCs),including Ti_(5)Cr_(7)Fe_(17),(Cr,Fe)_(2)Ti,Ti(Cu,Fe),Ti_(2)(Cu,Ag),and Ti_(2)Cu from 304L toward Cp-Ti formed in the joint.Also,on the one side,with the increase in time,further diffusion of elements decreases the blocky IMCs such as Ti_(5)Cr_(7)Fe_(17),(Cr,Fe)_(2)Ti,Ti(Cu,Fe)in the 304L diffusion-affected zone(DAZ)and reaction zone,and on the other side,Ti_(2)(Cu,Ag)IMC transformed into fine morphology toward Cp-Ti DAZ.The microhardness test also demonstrated that the(Cr,Fe)_(2)Ti+Ti_(5)Cr_(7)Fe_(17) IMCs in the DAZ on the side of 304L have a hardness value of HV 564,making it the hardest phase.The maximum and minimum shear strength values are equal to 78.84 and 29.0 MPa,respectively.The cleavage pattern dominated fracture surfaces due to the formation of brittle phases in dissimilar joints.展开更多
In the pursuit of advancing imidazolium-based energetic ionic liquids (EILs),the current study is devoted to the synthesis and characterization of 1,3-dibutyl-imidazolium azide ([BBIm][N_(3)]),as a novel member in thi...In the pursuit of advancing imidazolium-based energetic ionic liquids (EILs),the current study is devoted to the synthesis and characterization of 1,3-dibutyl-imidazolium azide ([BBIm][N_(3)]),as a novel member in this ionic liquids class.The chemical structure of this EIL was rigorously characterized and confirmed using FTIR spectroscopy,1D,and 2D-NMR analyses.The thermal behavior assessment was conducted through DSC and TGA experiments.DSC analysis revealed an endothermic glass transition at T_(g)=-61℃,followed by an exothermic degradation event at T_(onset)=311℃.Similarly,TGA thermograms exhibited a one-stage decomposition process resulting in 100% mass loss of the sample.Furthermore,the short-term thermal stability of the azide EIL was investigated by combining the non-isothermal TGA data with the TAS,it-KAS,and VYA/CE isoconversional kinetic approaches.Consequently,the Arrhenius parameters(E_(a)=154 kJ·mol^(-1),Log(A/s^(-1))=11.8) and the most probable reaction model g(a) were determined.The observed high decomposition temperatures and the significantly elevated activation energy affirm the enhanced thermal stability of the modified EIL.These findings revealed that[BBIm][N_(3)]EIL can be a promising candidate for advanced energetic material application.展开更多
文摘The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this work.The following properties were determined:density,self-diffusion coefficient,excess molar volume,and radial distribution function.The results show that with an increase in the mole fraction of[HPy][BF_(4)],the self-diffusion coefficient decreases.Additionally,the excess molar volume initially decreases,reaches a minimum,and then increases.The rules of radial distribution functions(RDFs)of characteristic atoms are different.With increasing the mole fraction of[HPy][BF_(4)],the first peak of the RDFs of HA1-F decreases,while that of CT6-CT6 rises at first and then decreases.This indicates that the solvent molecules affect the polar and non-polar regions of[HPy][BF_(4)]differently.
文摘We introduce our state-of-the art of“vacuum consistent electrochemistry”to an investigation of the interfaces between oxides and ionic liquid(IL).Pulsed laser deposition(PLD)has been one of the powerful and sophisticated techniques to realize nanoscale preparation of high-quality epitaxial oxide thin films.On the other hand,electrochemistry is a simple,very sensitive,and non-destructive analysis technique for solid-liquid interfaces.To ensure the reproducibility in experiment of the interfaces of such epitaxial oxide films,as well as bulk oxide single-crystals,with IL,we employ a home-built PLD-electrochemical(EC)system with IL as an electrolyte.The system allows one to perform all-in-vacuum experiments during the preparation of well-defined oxide electrode surfaces to their electrochemical analyses.The topics include electrochemical evaluations of the oxide’s own properties,such as carrier density and relative permittivity,and the interfacial properties of oxides in contact with IL,such as flat band potential and electric double layer(EDL)capacitance,ending with future perspectives in all-solid-state electrochemistry.
文摘The memory behavior in liquid crystals(LCs)that is characterized by low cost,large area,high speed,and high-density memory has evolved from a mere scientific curiosity to a technology that is being applied in a variety of commodities.In this study,we utilized molybdenum disulfide(MoS_(2))nanoflakes as the guest in a homotropic LCs host to modulate the overall memory effect of the hybrid.It was found that the MoS₂nanoflakes within the LCs host formed agglomerates,which in turn resulted in an accelerated response of the hybrids to the external electric field.However,this process also resulted in a slight decrease in the threshold voltage.Additionally,it was observed that MoS₂nanoflakes in a LCs host tend to align homeotropically under an external electric field,thereby accelerating the refreshment of the memory behavior.The incorporation of a mass fraction of 0.1%2μm MoS₂nanoflakes into the LCs host was found to significantly reduce the refreshing memory behavior in the hybrid to 94.0 s under an external voltage of 5 V.These findings illustrate the efficacy of regulating the rate of memory behavior for a variety of potential applications.
基金Projects(62275275,11904239)supported by the National Natural Science Foundation of ChinaProjects(2021JJ40709,2022JJ20080)supported by the Natural Science Foundation of Hunan Province,China。
文摘Ultrathin 2D niobium oxide dichloride(NbOCl_(2))is an emerging member of the 2D ferroelectric material family with extensive potential to provide multifunctionality in electronic devices and nanophotonics elements.It exhibits negligible interlayer electronic coupling and significant excitonic behavior in the bulk state.Here we substantiate that NbOCl_(2) nanosheets can be exfoliated and effectively size-selected using controlled centrifugation techniques by the liquid phase exfoliation(LPE)method.Spectroscopic measurements displayed that the variations in dispersion were highly dependent on the nanosheet dimensions.The nanosheets seemed to be comparatively defect-free which will be further corroborated by high resolution transmission electron microscopy(HRTEM)and Raman analysis.The size selected nanosheets are unanticipated stable in isopropyl alcohol(IPA),possibly owing to the protective influence of a solvation shell.Additionally,the photothermal conversion response and photothermal stability of nanosized NbOCl_(2) were investigated.Our finding revealed that NbOCl_(2) possesses a robust photothermal agent property,boasting a photothermal conversion efficiency of more than 30%.This underscores its promising potential for various photothermal applications in different fields such as photothermal therapy and thermal energy conversion.
基金supported by the National Natural Science Foundation of China(Grant No.52206165)。
文摘Flammable ionic liquids exhibit high conductivity and a broad electrochemical window,enabling the generation of combustible gases for combustion via electrochemical decomposition and thermal decomposition.This characteristic holds significant implications in the realm of novel satellite propulsion.Introducing a fraction of the electrical energy into energetic ionic liquid fuels,the thermal decomposition process is facilitated by reducing the apparent activation energy required,and electrical energy can trigger the electrochemical decomposition of ionic liquids,presenting a promising approach to enhance combustion efficiency and energy release.This study applied an external voltage during the thermal decomposition of 1-ethyl-3-methylimidazole nitrate([EMIm]NO_(3)),revealing the effective alteration of the activation energy of[EMIm]NO_(3).The pyrolysis,electrochemical decomposition,and electron assisted enhancement products were identified through Thermogravimetry-Differential scanning calorimetry-Fourier transform infrared-Mass spectrometry(TG-DSC-FTIR-MS)and gas chromatography(GC)analyses,elucidating the degradation mechanism of[EMIm]NO_(3).Furthermore,an external voltage was introduced during the combustion of[EMIm]NO_(3),demonstrating the impact of voltage on the combustion process.
基金Project(2024YFB4608600)supported by the National Key Research and Development Program of ChinaProjects(52271063,U21B2066,U24B2024)supported by the National Natural Science Foundation of China+3 种基金Project(JSGG20210713091539014)supported by the Shenzhen Science and Technology Innovation Commission Key Technical Project,ChinaProject(HNGD2025040)supported by the Overseas High-Level Talents Introduction of Henan Province,ChinaProject(240621041)supported by the Fundamental Research Funds of Henan Academy of Sciences,ChinaProject(20231120233925001)supported by Stabilization Support Program for Higher Education Institutions of Shenzhen,China。
文摘In this work,tensile mechanical behavior of 316L steels fabricated by three different processing methods(casting,powder extrusion printing(PEP)and laser powder bed fusion(LPBF))was studied in the presence of liquid lead-bismuth eutectic(LBE)and air at 350℃.The results show that all three steels tested in LBE are not subjected to evident degradation of tensile elongation to failure and strength compared to those tested in air,suggesting that LME does not occur regardless of the processing methods.The LPBF 316L steel exhibits the highest yield strength(420-435 MPa),followed by casting 316 L(~242 MPa)and PEP 316L(146-165 MPa).Ultimate tensile strength of three steels is comparable and ranges from 427 to 485 MPa.The PEP and casting 316L steels have similar total elongation to failure(i.e.,40.0%-43.8%),whereas this property decreases markedly to 18.6%-19.5% for the LPBF 316 L steel.The superior strength and relatively low ductility of the LPBF 316L steel can be attributed to nanosized dislocations trapped at cell structures which can produce a remarkable strengthening effect to the steel matrix.By contrast,due to massive residual micropores,the PEP 316L steel has the lowest strength.
基金Projects(52204226,52104204,52474276)supported by the National Natural Science Foundation of ChinaProject(tsqnz20221140)supported by the Taishan Scholars Project of China+1 种基金Projects(ZR2022QE243,ZR2024ME097)supported by the Natural Science Foundation of Shandong Province of ChinaProject(252300421010)supported by the Excellent Youth Foundation of Henan Scientific Committee,China。
文摘The geological structure of coal seams in China is remarkably varied and complex,with coalbed methane reservoirs marked by significant heterogeneity and low permeability,creating substantial technical challenges for efficient extraction.This study systematically investigates the impact of liquid nitrogen immersion(LNI)on the coal’s pore structure and its mechanism of enhancing permeability with a combination of quantitative nuclear magnetic resonance(NMR)analysis,nitrogen adsorption experiments,and fractal dimension calculations.The results demonstrate that LNI can damage the coal’s pore structure and promote fracture expansion through thermal stress induction and moisture phase transformation,thereby enhancing the permeability of coal seams.The T_(2)peak area in the NMR experiments on coal samples subjected to LNI treatment shows a significant increase,the Brunauer-Emmett-Teller(BET)specific surface area decreases to 6.02 m^(2)/g,and the Barrett-Joyner-Halenda(BJH)total pore volume increases to 14.99 mm^(3)/g.Furthermore,changes in fractal dimensions(D_(1)rising from 2.804 to 2.837,and D_(2)falling from 2.757 to 2.594)indicate a notable enhancement in the complexity of the pore structure.With increasing LNI cycles,the adsorption capacity of the coal samples diminishes,suggesting a significant optimization of the pore structure.This optimization is particularly evident in the reconstruction of the micropore structure,which in turn greatly enhances the complexity and connectivity of the sample’s pore network.In summary,the study concludes that LNI technology can effectively improve the permeability of coal seams and the extraction efficiency of coalbed methane by optimizing the micropore structure and enhancing pore connectivity,which offers a potential method for enhancing the permeability of gas-bearing coal seams and facilitating the development and utilization of coalbed methane.
文摘In order to study the action mechanism of Sacha Inchi polypeptide in liquid crystal emulsion,oil-in-water liquid crystal emulsions with Sacha Inchi fermented polypeptide as the active component were prepared.The microstructures,particle sizes,stabilities,thermodynamic properties,and rheological properties of liquid crystal emulsions with different concentrations of the fermentation products were observed by Polarizing microscope,Particle size meter,Thermogravimetric differential thermal synchronous measurement system,and Rheometer,respectively.The results showed that the average particle size of fermented peptide liquid crystal emulsion was(25.7±2.8)μm,and the liquid crystal structure was complete and stable.The content of bound water and liquid crystal in the emulsion with 1%Sacha Inchi polypeptide were higher than those in the blank emulsion and the emulsions with 3%and 5%Sacha Inchi polypeptide.Rheological results indicated that the viscosity of liquid crystal emulsion with the change curve of shear rate registered the shear thinning phenomenon,which belongs to non-Newtonian fluid.The hysteresis area,energy storage modulus,and loss modulus of the 1%additive amount of liquid crystal emulsion were larger than those of the blank emulsion and the emulsions with 3%and 5%Sacha Inchi polypeptide,indicating greater thixotropy and stronger shear resistance.The hydrophilic amino acid residues of the peptide in the 1%additive amount of the emulsion were combined with the water phase,while the hydrophobic amino acid residues of the peptide entered the oil phase,which formed a viscoelastic film at the oil-water interface,so that the liquid crystal emulsion had a more stable gel network structure.
基金Project(52004062)supported by the National Natural Science Foundation of ChinaProject(2020-MS-084)supported by the Natural Science Foundation of Liaoning Province,ChinaProject(N2125014)supported by the Fundamental Research Funds for the Central Universities,China。
文摘The electrochemical behavior of Al(Ⅲ)in urea-1-butyl-3-methylimidazolium chloride-aluminum chloride(urea-BMIC-AlCl_(3))ionic liquids,and the effect of potential and temperature on the characterization of cathode products,current efficiency and energy consumption of aluminum electrorefining have been investigated.Cyclic voltammetry showed that the electrochemical reduction of Al(Ⅲ)was a one-step three-electron-transfer irreversible reaction,and the electrochemical reaction was controlled by diffusion.The diffusion coefficient of Al(Ⅲ)in urea-BMIC-AlCl_(3)ionic liquids at 313 K was 1.94×10^(−7)cm^(2)/s.The 7075 aluminum alloy was used as an anode for electrorefining,and the cathode products were analyzed by XRD,SEM and EDS.The results from XRD analysis indicated that the main phase of the cathode products was aluminum.The results from SEM and EDS characterization revealed that the cathode product obtained by electrorefining−1.2 V(vs.Al)was dense and uniform,and the mass fraction of aluminum decreased from 99.61%to 99.10%as the experimental temperature increased from 313 K to 333 K.In this work,the optimum experimental conditions were−1.2 V(vs.Al)and 313 K.At this time,the cathode current efficiency was 97.80%,while the energy consumption was 3.72 kW·h/kg.
基金supported by the CAS Project for Young Scientists in Basic Research(YSBR-005)the National Natural Science Foundation of China(22325304,22221003 and 22033007)We acknowledge the Supercomputing Center of USTC,Hefei Advanced Computing Center,Beijing PARATERA Tech Co.,Ltd.,for providing high-performance computing services。
文摘As the simplest hydrogen-bonded alcohol,liquid methanol has attracted intensive experimental and theoretical interest.However,theoretical investigations on this system have primarily relied on empirical intermolecular force fields or ab initio molecular dynamics with semilocal density functionals.Inspired by recent studies on bulk water using increasingly accurate machine learning force fields,we report a new machine learning force field for liquid methanol with a hybrid functional revPBE0 plus dispersion correction.Molecular dynamics simulations on this machine learning force field are orders of magnitude faster than ab initio molecular dynamics simulations,yielding the radial distribution functions,selfdiffusion coefficients,and hydrogen bond network properties with very small statistical errors.The resulting structural and dynamical properties are compared well with the experimental data,demonstrating the superior accuracy of this machine learning force field.This work represents a successful step toward a first-principles description of this benchmark system and showcases the general applicability of the machine learning force field in studying liquid systems.
文摘One of the challenges for bimetal manufacturing is the joining process.Hence,transient liquid phase(TLP)bonding was performed between 304L stainless steel and Cp-Ti using an Ag-Cu interlayer with a thickness of 75μm for bonding time of 20,40,60,and 90 min.The bonding temperature of 860℃ was considered,which is under the β transus temperature of Cp-Ti.During TLP bonding,various intermetallic compounds(IMCs),including Ti_(5)Cr_(7)Fe_(17),(Cr,Fe)_(2)Ti,Ti(Cu,Fe),Ti_(2)(Cu,Ag),and Ti_(2)Cu from 304L toward Cp-Ti formed in the joint.Also,on the one side,with the increase in time,further diffusion of elements decreases the blocky IMCs such as Ti_(5)Cr_(7)Fe_(17),(Cr,Fe)_(2)Ti,Ti(Cu,Fe)in the 304L diffusion-affected zone(DAZ)and reaction zone,and on the other side,Ti_(2)(Cu,Ag)IMC transformed into fine morphology toward Cp-Ti DAZ.The microhardness test also demonstrated that the(Cr,Fe)_(2)Ti+Ti_(5)Cr_(7)Fe_(17) IMCs in the DAZ on the side of 304L have a hardness value of HV 564,making it the hardest phase.The maximum and minimum shear strength values are equal to 78.84 and 29.0 MPa,respectively.The cleavage pattern dominated fracture surfaces due to the formation of brittle phases in dissimilar joints.
文摘In the pursuit of advancing imidazolium-based energetic ionic liquids (EILs),the current study is devoted to the synthesis and characterization of 1,3-dibutyl-imidazolium azide ([BBIm][N_(3)]),as a novel member in this ionic liquids class.The chemical structure of this EIL was rigorously characterized and confirmed using FTIR spectroscopy,1D,and 2D-NMR analyses.The thermal behavior assessment was conducted through DSC and TGA experiments.DSC analysis revealed an endothermic glass transition at T_(g)=-61℃,followed by an exothermic degradation event at T_(onset)=311℃.Similarly,TGA thermograms exhibited a one-stage decomposition process resulting in 100% mass loss of the sample.Furthermore,the short-term thermal stability of the azide EIL was investigated by combining the non-isothermal TGA data with the TAS,it-KAS,and VYA/CE isoconversional kinetic approaches.Consequently,the Arrhenius parameters(E_(a)=154 kJ·mol^(-1),Log(A/s^(-1))=11.8) and the most probable reaction model g(a) were determined.The observed high decomposition temperatures and the significantly elevated activation energy affirm the enhanced thermal stability of the modified EIL.These findings revealed that[BBIm][N_(3)]EIL can be a promising candidate for advanced energetic material application.
