To explicate the thermodynamics of the chromite ore lime-free roasting process, the thermodynamics of reactions involved in this process was calculated and the phrases of sinter with different roasting times were stud...To explicate the thermodynamics of the chromite ore lime-free roasting process, the thermodynamics of reactions involved in this process was calculated and the phrases of sinter with different roasting times were studied. The thermodynamics calculation shows that all the standard Gibbs free energy changes of the reactions to form Na2CrO4, Na2O-Fe2O3, Na2O·Al2O3 and Na2O3 SiO2 via chromite ore and Na2CO3 are negative, and the standard Gibbs free energy changes of the reactions between MgO, Fe2O3 and SiO2 released from chromite spinel to form MgO-Fe2O3 and MgO·SiO2 are also negative at the oxidative roasting temperatures （1 173 1 473 K）. The phrase analysis of the sinter in lime-free roasting process shows that Na2O·Fe2O3, Na2O·Al2O3 and Na2O·SiO2 can be formed in the first 20 min, but they decrease in contents and finally disappear with the increase of roasting time. The final phase compositions of the sinter are Na2CrO4, MgO·Fe2O3, MgO·SiO2 and MgO. The results indicate that Na2CrO4 can be formed easily via the reaction ofNa2CO3 with chromite ore. Na2O·Fe2O3, Na2O-Al2O3 and Na2O·SiO2 can be formed as intermediate compounds in the roasting process and they can further react with chromite ore to form Na2CrO4. MgO released from chromite ore may react with iron oxides and silicon oxide to form stable compounds of MgO·Fe2O3 and MgO·SiO2, respectively.展开更多
The storage stability of energetic materials is important for its application. Here, the storage stability of Al/CuO nanothermite, which was prepared by electrospray method and stored with different storage time, was ...The storage stability of energetic materials is important for its application. Here, the storage stability of Al/CuO nanothermite, which was prepared by electrospray method and stored with different storage time, was systematically researched. The activation energy of Al/CuO nanothermite was calculated by differential scanning calorimetry(DSC). The ignition temperature and the curve pressure history of Al/Cu O nanothermite was measured using ignition temperature measuring device and constant-volume pressurization tests, respectively. Further, the thermites were characterized by X-ray Diffractometer(XRD), X-ray photoelectron spectroscopy(XPS), scanning electron microscope(SEM) and Transmission electron microscopy(TEM). The results show that the morphology of the thermites did not change significantly. The activation energy was decreased from 254.1 k J/mol to 181.8 k J/mol after storage for 13 months. When stored for 0, 7 and 13 months, the peak pressures of Al/CuO nanothermite were 685.8 k Pa,626.3 k Pa and 625.5 k Pa, respectively. In addition to the ignition temperature, it was 775 ℃, 739 ℃ and754 ℃, respectively. This result indicated that the ignition and combustion properties of Al/CuO nanothermite are obviously reduced when stored for a long time, at room temperature.展开更多
Wollastonite glass ceramics were prepared using the reactive crystallization sintering method by mixing waste glass powders with gehlenite.The crystallization property,thermodynamics,and kinetics of the prepared wolla...Wollastonite glass ceramics were prepared using the reactive crystallization sintering method by mixing waste glass powders with gehlenite.The crystallization property,thermodynamics,and kinetics of the prepared wollastonite glass ceramics were determined by X-ray diffraction analysis,scanning electron microscopy,energy-dispersive spectroscopy,high-resolution transmission electron microscopy,and differential thermal analysis.Results showed that crystals of wollastonite and alumina could be found in the gehlenite through its reaction with silicon dioxide.The wollastonite crystals showed a lath shape with a certain length-to-diameter ratio.The crystals exhibited excellent bridging and reinforcing effects.In the crystallization process,the aluminum ions in gehlenite diffused into the glass and the silicon ions in the glass diffused into gehlenite.Consequently,the three-dimensional frame structure of gehlenite was partially damaged to form a chain-like wollastonite.The results of crystallization thermodynamics and kinetics indicated that crystallization reaction could occur spontaneously under a low temperature(1173 K),with 20 wt%gehlenite added as the reactive crystallization promoter.The crystallization activation energy was evaluated as 261.99 kJ/mol by using the Kissinger method.The compression strength of the wollastonite glass ceramic samples(7.5 cm×7.5 cm)reached 251 MPa.展开更多
In this paper,the effect of sodium butyl xanthate(NaBX)adsorption on the surface of bornite at different pH on flotation was studied by adsorption kinetic and thermodynamic.The flotation results demonstrated that the ...In this paper,the effect of sodium butyl xanthate(NaBX)adsorption on the surface of bornite at different pH on flotation was studied by adsorption kinetic and thermodynamic.The flotation results demonstrated that the recovery was the highest when pH was 9 in NaBX solution(4×10^?5 mol/L).The adsorption kinetics showed the reaction of NaBX on the bornite conformed to the second order kinetic equation;it belonged to the multimolecular layer adsorption of Freundlich model;the maximum adsorption rate constant was 0.30 g/(10^?6 mol·min),and the equilibrium adsorption capacity was 2.70×10^?6 mol/g.Thermodynamic calculation results indicated that the adsorption process was spontaneous chemisorption,and the adsorption products of NaBX on bornite surface were cupric butyl xanthate,ferric butyl xanthate and dixanthogen,which were confirmed by infrared spectrum measurements.展开更多
The valuable metals in the dust can be recycled by mixing it with reducing agent carbon and lignosulfonate as the binder to make pellets, then returning the pellets to electric arc furnace (EAF) and adding ferro silic...The valuable metals in the dust can be recycled by mixing it with reducing agent carbon and lignosulfonate as the binder to make pellets, then returning the pellets to electric arc furnace (EAF) and adding ferro silicon. Part of valuable metals in the dust is reduced by carbon and part of them reduced by ferro silicon for the economical consideration. The reduced metals get into the steel in the stainless steel or special steel production. But the sulfur in the lignosulfonate may affect the quality of produced steel, which is dependent on the status of the smelting slag. The experiments were conducted in the way of changing the ratio of start iron, pellets, ferro silicon and lime. The content of the slag was checked by XRF for the calculation thermodynamics study. The active concentrations of materials in the slag, the slag abilities of oxidation and sulfur removal in EAF dust reduction process were determined by thermodynamics calculation study on CaO MgO FeO Fe 2O 3 SiO 2 S slag at 1 550 ℃. The oxidation ability of slag can be expressed as N (FetO)= N (FeO)+6 N (Fe 2O 3)+8 N (Fe 3O 4). The sulfur removal ability is dependent on the amount of added ferro silicon and the basicity of the slag. The calculation thermodynamics model was set up and it could be applied to the practical production.展开更多
The Microcystis aeruginosa(MA) was immobilized on sodium alginate and used as biosorbent for removal of Cd(Ⅱ) ions from aqueous solution.The biosorption process is pH dependent,and the optimum biosorption was observe...The Microcystis aeruginosa(MA) was immobilized on sodium alginate and used as biosorbent for removal of Cd(Ⅱ) ions from aqueous solution.The biosorption process is pH dependent,and the optimum biosorption was observed at pH 6.0 with the biosorption capacity of 98.38 mg/g.Among Langmuir,Freundlich and Temkin isotherm models,the Freundlich and the Temkin isotherm fit well with the experimental data.Cd(Ⅱ) ions biosorption follows the pseudo-second-order kinetic model.The rate controlling mechanism study reveals that film diffusion is the rate-limiting step and intraparticle diffusion is also involved in biosorption.Thermodynamic parameters,such as Gibbs free energy(ΔG°),the enthalpy(ΔH°) and entropy(ΔS°) were calculated,and revealed that the biosorption process is spontaneous,exothermic and random.Furthermore,the immobilized MA can be regenerated using 0.1 mol/L HCl solutions.展开更多
Thermodynamic calculation is the theoretical basis for the study of initiation and detonation,as well as the prerequisite for forecasting the detonation performance of unknown explosives.Based on the VLWR(Virial-Wu)th...Thermodynamic calculation is the theoretical basis for the study of initiation and detonation,as well as the prerequisite for forecasting the detonation performance of unknown explosives.Based on the VLWR(Virial-Wu)thermodynamic code,this paper introduced the universal solid equation of state(EOS)VINET.In order to truly reflect the compressibility of nanocarbon under the extremely high-temperature and high-pressure environment in detonation,an SVM(support vector machine)was utilized to optimize the input parameters of carbon.The detonation performance of several explosives with different densities was calculated by the optimized universal EOS,and the results show that the thermodynamic code coupled with the universal solid EOS VINET can predict the detonation performance parameters of explosives well.To investigate the application of the thermodynamic code with the improved VINET EOS in the working capacity of explosives,the interrelationship between pressure P-particle velocity u and pressure P-volume V were computed for the detonation products of TNT and HMX-based PBX(HMX:binder:insensitive agent=95:4.3:0.7)in the CJ isentropic state.A universal curve proposed by Cooper was used to compared the computed isentropic state,where the ratio of pressure to CJ state were plotted against the ratio of velocity to CJ state.The parameters of the JWL(Jones-Wilkins-Lee)EOS for detonation products were obtained by fitting the P-V curve.The cylinder tests of TNT and HMX-based PBX were numerically simulated using the LS-DYNA,it is verified that,within a certain range,the improved algorithm has superiority in describing the working capacity of explosives.展开更多
Aiming at the fact that the energy and mass exchange phenomena exist between barrel and gas-operated device of the automatic weapon, for describing its interior ballistics and dynamic characteristics of the gas-operat...Aiming at the fact that the energy and mass exchange phenomena exist between barrel and gas-operated device of the automatic weapon, for describing its interior ballistics and dynamic characteristics of the gas-operated device accurately, a new variable-mass thermodynamics model is built. It is used to calculate the automatic mechanism velocity of a certain automatic weapon, the calculation results coincide with the experimental results better, and thus the model is validated. The influences of structure parameters on gas-operated device's dynamic characteristics are discussed. It shows that the model is valuable for design and accurate performance prediction of gas-operated automatic weapon.展开更多
Structural stabilities, thermodynamics stabilities, elastic properties and electronic structures of Mgl7Al12, Al2Y and AlaBa phases were analyzed by first-principles calculations with Castep and Drool3 program based o...Structural stabilities, thermodynamics stabilities, elastic properties and electronic structures of Mgl7Al12, Al2Y and AlaBa phases were analyzed by first-principles calculations with Castep and Drool3 program based on the density functional theory. The calculated results of heat of formation indicate that AI2Y phase has the strongest alloying ability. The calculated thermodynamic properties show that the thermal stability of these compounds gradually increases in the order ofMgl7Al12, A12Y and Al4Ba phases. Y or Ba addition to the Mg-Al alloys could improve the heat resistance. The calculated bulk modulus B, shear modulus G, elastic modulus E and Poisson ratio v show that the adding Y or Ba to Mg-Al alloys could promote the brittleness and stiffness, and reduce tenacity and plasticity by forming Al4Ba and Al2Y phases. The calculated cohesive energy and density of state （DOS） show that Al2Y has the strongest structural stability, then AlaBa and finally Mg17Al12. The calculated electronic structures show that Al2Y has the strongest structure stability because of the strong ionic bonds and covalent bonds combined action.展开更多
The relationship between engine mechanics and thermo-dynamics has been investigated by means of numerical simulation.The inherent mismatching between the mechanical behaviors and the thermodynamic process in internal ...The relationship between engine mechanics and thermo-dynamics has been investigated by means of numerical simulation.The inherent mismatching between the mechanical behaviors and the thermodynamic process in internal combustion engine is identified,which is believed to be one of the important limiting factors of energy efficiency for conventional engines available in the current market.An approach for engine efficiency improvement through optimal matching between mechanics and thermodynamics(OMBMT)is proposed.An ideal matching model is defined and the conflicts due to the constraints among the mapping strokes in a 4-stroke engine are analyzed.A novel mechanical model is built for approaching optimal matching among all 4 individual strokes in a 4-stroke spark-ignition engine,which is composed of non-circular gears(NCG)and integrated with conventional slider crank engine mechanism.By means of digital mechanical model and numerical simulation,the matching gains among all 4 strokes are defined and calculated for quantifying the NCG engine efficiency improvement by comparing with a baseline engine.The potentials with the OMBMT implemented and the enhancements made by NCG mechanism for engines in terms of overall engine efficiency are reported.Based on the results achieved,it is recommended that the feasibility studies and the experimental validations should be conducted to verify the engine matching concept and effectiveness of the NCG mechanism engine model proposed,and the engine performance and NCG design parameters should be further optimized.展开更多
Detonation performance is crucial for evaluating the power of high explosives(HEs),and the equation of state(EOS)that accurately describes the high-temperature,high-pressure,and high-temperature,medium-pressure states...Detonation performance is crucial for evaluating the power of high explosives(HEs),and the equation of state(EOS)that accurately describes the high-temperature,high-pressure,and high-temperature,medium-pressure states of detonation products is key to assessing the damage efficiency of these energetic materials.This article examines the limitations of the VLW EOS in representing the thermodynamic states of explosive detonation gas products under high-temperature and medium-to high-pressure conditions.A new gas EOS for detonation products,called VHL(Virial-Han-Long),is proposed.The accuracy of VHL in describing gas states under high-temperature and medium-to high-pressure conditions is verified,and its performance in evaluating explosive detonation and working capabilities is explored.The results demonstrate that VHL exhibits high precision in calculating detonation performance.Subsequently,the detonation performance of three new HEs(ICM-101,ONC,and TNAZ)was calculated and compared to traditional HEs(TATB,CL-20,and HMX).The results indicate that ONC has superior detonation performance compared to the other explosives,while ICM-101 shows a detonation velocity similar to CL-20 but with slightly lower detonation pressure.The detonation characteristics of TNAZ are comparable to those of the standard HE HMX.From the perspective of products,considering the comprehensive work performance(mechanical work and detonation heat),both ONC and ICM-101demonstrate relatively superior performance.展开更多
Using a dynamic laser monitoring technique,the solubility of 3-nitro-1,2,4-triazole-5-one(NTO)was investigated in two different binary systems,namely hydroxylamine nitrate(HAN)-water and boric acid(HB)-water ranging f...Using a dynamic laser monitoring technique,the solubility of 3-nitro-1,2,4-triazole-5-one(NTO)was investigated in two different binary systems,namely hydroxylamine nitrate(HAN)-water and boric acid(HB)-water ranging from 278.15 K to 318.15 K.The solubility in each system was found to be positively correlated with temperature.Furthermore,solubility data were analyzed using four equations:the modified Apelblat equation,Van’t Hoff equation,λh equation and CNIBS/R-K equations,and they provided satisfactory results for both two systems.The average root-mean-square deviation(105RMSD)values for these models were less than 13.93.Calculations utilizing the Van’t Hoff equation and Gibbs equations facilitated the derivation of apparent thermodynamic properties of NTO dissolution in the two systems,including values for Gibbs free energy,enthalpy and entropy.The%ζ_(H)is larger than%ζ_(TS),and all the%ζ_(H)data are≥58.63%,indicating that the enthalpy make a greater contribution than entropy to theΔG_(soln)^(Θ).展开更多
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
Improving the energy conversion efficiency in metallic fuel(e.g.,Al)combustion is always desirable but challenging,which often involves redox reactions of aluminum(Al)with various mixed oxidizing environments.For inst...Improving the energy conversion efficiency in metallic fuel(e.g.,Al)combustion is always desirable but challenging,which often involves redox reactions of aluminum(Al)with various mixed oxidizing environments.For instance,Al-O reaction is the most common pathway to release limited energy while Al-F reaction has received much attentions to enhance Al combustion efficiency.However,microscopic understanding of the Al-O/Al-F reaction dynamics remains unsolved,which is fundamentally necessary to further improve Al combustion efficiency.In this work,for the first time,Al-O/Al-F reaction dynamic effects on the combustion of aluminum nanoparticles(n-Al)in oxygen/fluorine containing environments have been revealed via reactive molecular dynamics(RMD)simulations meshing together combustion experiments.Three RMD simulation systems of Al core/O_(2)/HF,n-Al/O_(2)/HF,and n-Al/O_(2)/CF4 with oxygen percentage ranging from 0%to 100%have been performed.The n-Al combustion in mixed O_(2)/CF_4 environments have been conducted by constant volume combustion experiments.RMD results show that Al-O reaction exhibits kinetic benefits while Al-F reaction owns thermodynamic benefits for n-Al combustion.In n-Al/O_(2)/HF,Al-O reaction gives faster energy release rate than Al-F reaction(1.1 times).The optimal energy release efficiency can be achieved with suitable oxygen percentage of 10%and 50%for n-Al/O_(2)/HF and n-Al/O_(2)/CF_4,respectively.In combustion experiments,90%of oxygen percentage can optimally enhance the peak pressure,pressurization rate and combustion heat.Importantly,Al-O reaction prefers to occur on the surface regions while Al-F reaction prefers to proceed in the interior regions of n-Al,confirming the kinetic/thermodynamic benefits of Al-O/Al-F reactions.The synergistic effect of Al-O/Al-F reaction for greatly enhancing n-Al combustion efficiency is demonstrated at atomicscale,which is beneficial for optimizing the combustion performance of metallic fuel.展开更多
Water-based aerosol is widely used as an effective strategy in electro-optical countermeasure on the battlefield used to the preponderance of high efficiency,low cost and eco-friendly.Unfortunately,the stability of th...Water-based aerosol is widely used as an effective strategy in electro-optical countermeasure on the battlefield used to the preponderance of high efficiency,low cost and eco-friendly.Unfortunately,the stability of the water-based aerosol is always unsatisfactory due to the rapid evaporation and sedimentation of the aerosol droplets.Great efforts have been devoted to improve the stability of water-based aerosol by using additives with different composition and proportion.However,the lack of the criterion and principle for screening the effective additives results in excessive experimental time consumption and cost.And the stabilization time of the aerosol is still only 30 min,which could not meet the requirements of the perdurable interference.Herein,to improve the stability of water-based aerosol and optimize the complex formulation efficiently,a theoretical calculation method based on thermodynamic entropy theory is proposed.All the factors that influence the shielding effect,including polyol,stabilizer,propellant,water and cosolvent,are considered within calculation.An ultra-stable water-based aerosol with long duration over 120 min is obtained with the optimal fogging agent composition,providing enough time for fighting the electro-optic weapon.Theoretical design guideline for choosing the additives with high phase transition temperature and low phase transition enthalpy is also proposed,which greatly improves the total entropy change and reduce the absolute entropy change of the aerosol cooling process,and gives rise to an enhanced stability of the water-based aerosol.The theoretical calculation methodology contributes to an abstemious time and space for sieving the water-based aerosol with desirable performance and stability,and provides the powerful guarantee to the homeland security.展开更多
Three-dimensional ordered macro/mesoporous carbon(3DOM/m-C)with high specific surface area was synthesized by colloid crystal template method with chemical activation by KOH and used as the adsorbent for removing mala...Three-dimensional ordered macro/mesoporous carbon(3DOM/m-C)with high specific surface area was synthesized by colloid crystal template method with chemical activation by KOH and used as the adsorbent for removing malachite green(MG)in aqueous solution.The microstructures of the adsorbents were characterized by FESEM,TEM and BET,and the effects of initial dye concentration,contact time,solution pH,and temperature on adsorption performance were investigated.The results show that the 3DOM/m-C exhibits extremely high adsorption capacity of 3541.1 mg/g within 2 h,which could be attributed to the novel ordered hierarchical structure with mesopores on three-dimensional ordered macroporous carbon walls.And the adsorption behavior conforms to the pseudo-second-order kinetic and Langmuir adsorption isotherm.3DOM/m-C can be recycled after being desorbed by absolute ethanol,and still maintains a high capacity of 2762.06 mg/g after 5 cycles.展开更多
Organic Rankine cycle(ORC) is applicable for the heat-work conversion. Whereas, there also exist a lot issues that influence the efficiency and the cost of the system. In this work, eleven pure working fluids(as categ...Organic Rankine cycle(ORC) is applicable for the heat-work conversion. Whereas, there also exist a lot issues that influence the efficiency and the cost of the system. In this work, eleven pure working fluids(as categorized into alkanes, and fluorinated alkanes) are investigated based on the first and second law of thermodynamics. The major objective is to obtain the most suitable working fluid for the latent heat source. The results show that the working fluid is an important factor of the system performance. The heat absorption of the working fluid in the evaporator is inversely proportional to the evaporating temperature, but the thermal and exergetic efficiencies are just the opposite. RC318 has the highest net power output and the lowest outlet temperature of the heat source, but its global warming potential(GWP) value is too high. The cyclohexane shows the highest thermal efficiency among the fluids investigated. Moreover, the figure of merit(FOM) of the isobutane is higher than that of other working fluids. Overall, the cyclohexane shows that the optimal comprehensive performance is more feasible for medium grade heat source in engineering applications.展开更多
Inner Mongolian serpentine ore was subjected to sulfuric acid leaching tests,and the effects of the leaching process parameters on the leaching efficiency of different metals were investigated.The leaching efficiency ...Inner Mongolian serpentine ore was subjected to sulfuric acid leaching tests,and the effects of the leaching process parameters on the leaching efficiency of different metals were investigated.The leaching efficiency of Mg,Fe,Al,Ni,and Co reaches 93.98%,60.09%,82.08%,90.58%,and 94.06%,respectively,under the leaching conditions of 5 mol/L H_(2)SO_(4),liquid/solid ratio of 4 mL/g,and leaching temperature 100℃.Hence,the valuable metals in serpentine were effectively recovered by sulfuric acid leaching.The leaching behaviors of Mg,Fe,and a small amount of Al were analyzed using X-ray diffraction.The results show that the unreacted Mg and Fe remained as MgFe_(2)O_(4),and Al formed Al_(2)Si_(2)O_(5)(OH)_(4) in the leaching residue.The kinetics of Mg and Ni in the leaching process was studied respectively.The leaching kinetics of Mg conformed to the shrinking core model with an activation energy of 16.95 kJ/mol,which was controlled by the combination of the diffusion and chemical reaction.The leaching kinetics of Ni accorded with the Avrami equation with an activation energy of 11.57 kJ/mol,which was controlled by diffusion.In the study,the valuable metal elements were extracted from serpentine minerals with high efficiency and low cost,which possessed important practical values.展开更多
To increase the efficiency and reliability of the thermodynamics analysis of the spool valve, the precise function expression of the flow area for the sloping U-shape notch orifice versus the spool stroke and thermal-...To increase the efficiency and reliability of the thermodynamics analysis of the spool valve, the precise function expression of the flow area for the sloping U-shape notch orifice versus the spool stroke and thermal-hydraulic bond graph based on the conservation of mass and energy were introduced. Subsequently, the connection rule for the bond graph elements and the method to construct the complete thermal-hydraulic system model were proposed. On the basis of heat transfer analysis of a typical hydraulic circuit containing the spool valve, the lumped parameter for mathematical model of the system was given. At last, the reliability of the mathematical model of the flow area and the thermal-hydraulic system for the sloping U-shape notch orifice on the spool were demonstrated by the test. The good agreement between the simulation results and experimental data demonstrates the validity of the modeling method.展开更多
基金Project(2009FJ1009) supported by the Major Science and Technology Program of Hunan Province,China
文摘To explicate the thermodynamics of the chromite ore lime-free roasting process, the thermodynamics of reactions involved in this process was calculated and the phrases of sinter with different roasting times were studied. The thermodynamics calculation shows that all the standard Gibbs free energy changes of the reactions to form Na2CrO4, Na2O-Fe2O3, Na2O·Al2O3 and Na2O3 SiO2 via chromite ore and Na2CO3 are negative, and the standard Gibbs free energy changes of the reactions between MgO, Fe2O3 and SiO2 released from chromite spinel to form MgO-Fe2O3 and MgO·SiO2 are also negative at the oxidative roasting temperatures （1 173 1 473 K）. The phrase analysis of the sinter in lime-free roasting process shows that Na2O·Fe2O3, Na2O·Al2O3 and Na2O·SiO2 can be formed in the first 20 min, but they decrease in contents and finally disappear with the increase of roasting time. The final phase compositions of the sinter are Na2CrO4, MgO·Fe2O3, MgO·SiO2 and MgO. The results indicate that Na2CrO4 can be formed easily via the reaction ofNa2CO3 with chromite ore. Na2O·Fe2O3, Na2O-Al2O3 and Na2O·SiO2 can be formed as intermediate compounds in the roasting process and they can further react with chromite ore to form Na2CrO4. MgO released from chromite ore may react with iron oxides and silicon oxide to form stable compounds of MgO·Fe2O3 and MgO·SiO2, respectively.
文摘The storage stability of energetic materials is important for its application. Here, the storage stability of Al/CuO nanothermite, which was prepared by electrospray method and stored with different storage time, was systematically researched. The activation energy of Al/CuO nanothermite was calculated by differential scanning calorimetry(DSC). The ignition temperature and the curve pressure history of Al/Cu O nanothermite was measured using ignition temperature measuring device and constant-volume pressurization tests, respectively. Further, the thermites were characterized by X-ray Diffractometer(XRD), X-ray photoelectron spectroscopy(XPS), scanning electron microscope(SEM) and Transmission electron microscopy(TEM). The results show that the morphology of the thermites did not change significantly. The activation energy was decreased from 254.1 k J/mol to 181.8 k J/mol after storage for 13 months. When stored for 0, 7 and 13 months, the peak pressures of Al/CuO nanothermite were 685.8 k Pa,626.3 k Pa and 625.5 k Pa, respectively. In addition to the ignition temperature, it was 775 ℃, 739 ℃ and754 ℃, respectively. This result indicated that the ignition and combustion properties of Al/CuO nanothermite are obviously reduced when stored for a long time, at room temperature.
基金Project(51308086)supported by the National Natural Science Foundation of ChinaProject(LJQ2015020)supported by the Program for Liaoning Excellent Talents in University,ChinaProject(2016RQ051)supported by the Program of Science-Technology Star for Young Scholars by the Dalian Municipality,China
文摘Wollastonite glass ceramics were prepared using the reactive crystallization sintering method by mixing waste glass powders with gehlenite.The crystallization property,thermodynamics,and kinetics of the prepared wollastonite glass ceramics were determined by X-ray diffraction analysis,scanning electron microscopy,energy-dispersive spectroscopy,high-resolution transmission electron microscopy,and differential thermal analysis.Results showed that crystals of wollastonite and alumina could be found in the gehlenite through its reaction with silicon dioxide.The wollastonite crystals showed a lath shape with a certain length-to-diameter ratio.The crystals exhibited excellent bridging and reinforcing effects.In the crystallization process,the aluminum ions in gehlenite diffused into the glass and the silicon ions in the glass diffused into gehlenite.Consequently,the three-dimensional frame structure of gehlenite was partially damaged to form a chain-like wollastonite.The results of crystallization thermodynamics and kinetics indicated that crystallization reaction could occur spontaneously under a low temperature(1173 K),with 20 wt%gehlenite added as the reactive crystallization promoter.The crystallization activation energy was evaluated as 261.99 kJ/mol by using the Kissinger method.The compression strength of the wollastonite glass ceramic samples(7.5 cm×7.5 cm)reached 251 MPa.
基金Projects(51504053,51374079)supported by the National Natural Science Foundation of ChinaProject(2015M571324)supported by the Postdoctoral Science Foundation of China
文摘In this paper,the effect of sodium butyl xanthate(NaBX)adsorption on the surface of bornite at different pH on flotation was studied by adsorption kinetic and thermodynamic.The flotation results demonstrated that the recovery was the highest when pH was 9 in NaBX solution(4×10^?5 mol/L).The adsorption kinetics showed the reaction of NaBX on the bornite conformed to the second order kinetic equation;it belonged to the multimolecular layer adsorption of Freundlich model;the maximum adsorption rate constant was 0.30 g/(10^?6 mol·min),and the equilibrium adsorption capacity was 2.70×10^?6 mol/g.Thermodynamic calculation results indicated that the adsorption process was spontaneous chemisorption,and the adsorption products of NaBX on bornite surface were cupric butyl xanthate,ferric butyl xanthate and dixanthogen,which were confirmed by infrared spectrum measurements.
文摘The valuable metals in the dust can be recycled by mixing it with reducing agent carbon and lignosulfonate as the binder to make pellets, then returning the pellets to electric arc furnace (EAF) and adding ferro silicon. Part of valuable metals in the dust is reduced by carbon and part of them reduced by ferro silicon for the economical consideration. The reduced metals get into the steel in the stainless steel or special steel production. But the sulfur in the lignosulfonate may affect the quality of produced steel, which is dependent on the status of the smelting slag. The experiments were conducted in the way of changing the ratio of start iron, pellets, ferro silicon and lime. The content of the slag was checked by XRF for the calculation thermodynamics study. The active concentrations of materials in the slag, the slag abilities of oxidation and sulfur removal in EAF dust reduction process were determined by thermodynamics calculation study on CaO MgO FeO Fe 2O 3 SiO 2 S slag at 1 550 ℃. The oxidation ability of slag can be expressed as N (FetO)= N (FeO)+6 N (Fe 2O 3)+8 N (Fe 3O 4). The sulfur removal ability is dependent on the amount of added ferro silicon and the basicity of the slag. The calculation thermodynamics model was set up and it could be applied to the practical production.
基金Project(41271332) supported by the National Natural Science Foundation of ChinaProject(11JJ2031) supported by the Natural Science Foundation of Hunan Province,China+1 种基金Project(2012SK2021) supported by the Science and Technology Planning Program of Hunan Province,ChinaProject(CX2012B138) supported by the Hunan Provincial Innovation Foundation for Postgraduate,China
文摘The Microcystis aeruginosa(MA) was immobilized on sodium alginate and used as biosorbent for removal of Cd(Ⅱ) ions from aqueous solution.The biosorption process is pH dependent,and the optimum biosorption was observed at pH 6.0 with the biosorption capacity of 98.38 mg/g.Among Langmuir,Freundlich and Temkin isotherm models,the Freundlich and the Temkin isotherm fit well with the experimental data.Cd(Ⅱ) ions biosorption follows the pseudo-second-order kinetic model.The rate controlling mechanism study reveals that film diffusion is the rate-limiting step and intraparticle diffusion is also involved in biosorption.Thermodynamic parameters,such as Gibbs free energy(ΔG°),the enthalpy(ΔH°) and entropy(ΔS°) were calculated,and revealed that the biosorption process is spontaneous,exothermic and random.Furthermore,the immobilized MA can be regenerated using 0.1 mol/L HCl solutions.
基金the financial support from the National Natural Science Foundation of China(No.11902298)the National Key Research and Development Program of China(No.2017YFC0804701)。
文摘Thermodynamic calculation is the theoretical basis for the study of initiation and detonation,as well as the prerequisite for forecasting the detonation performance of unknown explosives.Based on the VLWR(Virial-Wu)thermodynamic code,this paper introduced the universal solid equation of state(EOS)VINET.In order to truly reflect the compressibility of nanocarbon under the extremely high-temperature and high-pressure environment in detonation,an SVM(support vector machine)was utilized to optimize the input parameters of carbon.The detonation performance of several explosives with different densities was calculated by the optimized universal EOS,and the results show that the thermodynamic code coupled with the universal solid EOS VINET can predict the detonation performance parameters of explosives well.To investigate the application of the thermodynamic code with the improved VINET EOS in the working capacity of explosives,the interrelationship between pressure P-particle velocity u and pressure P-volume V were computed for the detonation products of TNT and HMX-based PBX(HMX:binder:insensitive agent=95:4.3:0.7)in the CJ isentropic state.A universal curve proposed by Cooper was used to compared the computed isentropic state,where the ratio of pressure to CJ state were plotted against the ratio of velocity to CJ state.The parameters of the JWL(Jones-Wilkins-Lee)EOS for detonation products were obtained by fitting the P-V curve.The cylinder tests of TNT and HMX-based PBX were numerically simulated using the LS-DYNA,it is verified that,within a certain range,the improved algorithm has superiority in describing the working capacity of explosives.
文摘Aiming at the fact that the energy and mass exchange phenomena exist between barrel and gas-operated device of the automatic weapon, for describing its interior ballistics and dynamic characteristics of the gas-operated device accurately, a new variable-mass thermodynamics model is built. It is used to calculate the automatic mechanism velocity of a certain automatic weapon, the calculation results coincide with the experimental results better, and thus the model is validated. The influences of structure parameters on gas-operated device's dynamic characteristics are discussed. It shows that the model is valuable for design and accurate performance prediction of gas-operated automatic weapon.
基金Project(2011DFA50520) supported by the International Cooperation of Ministry of Science and Technology of ChinaProject(50975263) supported by the National Natural Science Foundation of ChinaProject(2010-78) supported by the Shanxi Provincial Foundation for Returned Scholars,China
文摘Structural stabilities, thermodynamics stabilities, elastic properties and electronic structures of Mgl7Al12, Al2Y and AlaBa phases were analyzed by first-principles calculations with Castep and Drool3 program based on the density functional theory. The calculated results of heat of formation indicate that AI2Y phase has the strongest alloying ability. The calculated thermodynamic properties show that the thermal stability of these compounds gradually increases in the order ofMgl7Al12, A12Y and Al4Ba phases. Y or Ba addition to the Mg-Al alloys could improve the heat resistance. The calculated bulk modulus B, shear modulus G, elastic modulus E and Poisson ratio v show that the adding Y or Ba to Mg-Al alloys could promote the brittleness and stiffness, and reduce tenacity and plasticity by forming Al4Ba and Al2Y phases. The calculated cohesive energy and density of state （DOS） show that Al2Y has the strongest structural stability, then AlaBa and finally Mg17Al12. The calculated electronic structures show that Al2Y has the strongest structure stability because of the strong ionic bonds and covalent bonds combined action.
文摘The relationship between engine mechanics and thermo-dynamics has been investigated by means of numerical simulation.The inherent mismatching between the mechanical behaviors and the thermodynamic process in internal combustion engine is identified,which is believed to be one of the important limiting factors of energy efficiency for conventional engines available in the current market.An approach for engine efficiency improvement through optimal matching between mechanics and thermodynamics(OMBMT)is proposed.An ideal matching model is defined and the conflicts due to the constraints among the mapping strokes in a 4-stroke engine are analyzed.A novel mechanical model is built for approaching optimal matching among all 4 individual strokes in a 4-stroke spark-ignition engine,which is composed of non-circular gears(NCG)and integrated with conventional slider crank engine mechanism.By means of digital mechanical model and numerical simulation,the matching gains among all 4 strokes are defined and calculated for quantifying the NCG engine efficiency improvement by comparing with a baseline engine.The potentials with the OMBMT implemented and the enhancements made by NCG mechanism for engines in terms of overall engine efficiency are reported.Based on the results achieved,it is recommended that the feasibility studies and the experimental validations should be conducted to verify the engine matching concept and effectiveness of the NCG mechanism engine model proposed,and the engine performance and NCG design parameters should be further optimized.
基金supported by the National Natural Science Foundation of China(Gant Nos.11372291 and 11902298)。
文摘Detonation performance is crucial for evaluating the power of high explosives(HEs),and the equation of state(EOS)that accurately describes the high-temperature,high-pressure,and high-temperature,medium-pressure states of detonation products is key to assessing the damage efficiency of these energetic materials.This article examines the limitations of the VLW EOS in representing the thermodynamic states of explosive detonation gas products under high-temperature and medium-to high-pressure conditions.A new gas EOS for detonation products,called VHL(Virial-Han-Long),is proposed.The accuracy of VHL in describing gas states under high-temperature and medium-to high-pressure conditions is verified,and its performance in evaluating explosive detonation and working capabilities is explored.The results demonstrate that VHL exhibits high precision in calculating detonation performance.Subsequently,the detonation performance of three new HEs(ICM-101,ONC,and TNAZ)was calculated and compared to traditional HEs(TATB,CL-20,and HMX).The results indicate that ONC has superior detonation performance compared to the other explosives,while ICM-101 shows a detonation velocity similar to CL-20 but with slightly lower detonation pressure.The detonation characteristics of TNAZ are comparable to those of the standard HE HMX.From the perspective of products,considering the comprehensive work performance(mechanical work and detonation heat),both ONC and ICM-101demonstrate relatively superior performance.
文摘Using a dynamic laser monitoring technique,the solubility of 3-nitro-1,2,4-triazole-5-one(NTO)was investigated in two different binary systems,namely hydroxylamine nitrate(HAN)-water and boric acid(HB)-water ranging from 278.15 K to 318.15 K.The solubility in each system was found to be positively correlated with temperature.Furthermore,solubility data were analyzed using four equations:the modified Apelblat equation,Van’t Hoff equation,λh equation and CNIBS/R-K equations,and they provided satisfactory results for both two systems.The average root-mean-square deviation(105RMSD)values for these models were less than 13.93.Calculations utilizing the Van’t Hoff equation and Gibbs equations facilitated the derivation of apparent thermodynamic properties of NTO dissolution in the two systems,including values for Gibbs free energy,enthalpy and entropy.The%ζ_(H)is larger than%ζ_(TS),and all the%ζ_(H)data are≥58.63%,indicating that the enthalpy make a greater contribution than entropy to theΔG_(soln)^(Θ).
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.
基金support by the National Natural Science Foundation of China(NSFC,Grant Nos.12002324,12372341,12172342)。
文摘Improving the energy conversion efficiency in metallic fuel(e.g.,Al)combustion is always desirable but challenging,which often involves redox reactions of aluminum(Al)with various mixed oxidizing environments.For instance,Al-O reaction is the most common pathway to release limited energy while Al-F reaction has received much attentions to enhance Al combustion efficiency.However,microscopic understanding of the Al-O/Al-F reaction dynamics remains unsolved,which is fundamentally necessary to further improve Al combustion efficiency.In this work,for the first time,Al-O/Al-F reaction dynamic effects on the combustion of aluminum nanoparticles(n-Al)in oxygen/fluorine containing environments have been revealed via reactive molecular dynamics(RMD)simulations meshing together combustion experiments.Three RMD simulation systems of Al core/O_(2)/HF,n-Al/O_(2)/HF,and n-Al/O_(2)/CF4 with oxygen percentage ranging from 0%to 100%have been performed.The n-Al combustion in mixed O_(2)/CF_4 environments have been conducted by constant volume combustion experiments.RMD results show that Al-O reaction exhibits kinetic benefits while Al-F reaction owns thermodynamic benefits for n-Al combustion.In n-Al/O_(2)/HF,Al-O reaction gives faster energy release rate than Al-F reaction(1.1 times).The optimal energy release efficiency can be achieved with suitable oxygen percentage of 10%and 50%for n-Al/O_(2)/HF and n-Al/O_(2)/CF_4,respectively.In combustion experiments,90%of oxygen percentage can optimally enhance the peak pressure,pressurization rate and combustion heat.Importantly,Al-O reaction prefers to occur on the surface regions while Al-F reaction prefers to proceed in the interior regions of n-Al,confirming the kinetic/thermodynamic benefits of Al-O/Al-F reactions.The synergistic effect of Al-O/Al-F reaction for greatly enhancing n-Al combustion efficiency is demonstrated at atomicscale,which is beneficial for optimizing the combustion performance of metallic fuel.
基金supported by the Preparation and Characterization of Fogging Agents,Cooperative Project of China(Grant No.1900030040)Preparation and Test of Fogging Agents,Cooperative Project of China(Grant No.2200030085)。
文摘Water-based aerosol is widely used as an effective strategy in electro-optical countermeasure on the battlefield used to the preponderance of high efficiency,low cost and eco-friendly.Unfortunately,the stability of the water-based aerosol is always unsatisfactory due to the rapid evaporation and sedimentation of the aerosol droplets.Great efforts have been devoted to improve the stability of water-based aerosol by using additives with different composition and proportion.However,the lack of the criterion and principle for screening the effective additives results in excessive experimental time consumption and cost.And the stabilization time of the aerosol is still only 30 min,which could not meet the requirements of the perdurable interference.Herein,to improve the stability of water-based aerosol and optimize the complex formulation efficiently,a theoretical calculation method based on thermodynamic entropy theory is proposed.All the factors that influence the shielding effect,including polyol,stabilizer,propellant,water and cosolvent,are considered within calculation.An ultra-stable water-based aerosol with long duration over 120 min is obtained with the optimal fogging agent composition,providing enough time for fighting the electro-optic weapon.Theoretical design guideline for choosing the additives with high phase transition temperature and low phase transition enthalpy is also proposed,which greatly improves the total entropy change and reduce the absolute entropy change of the aerosol cooling process,and gives rise to an enhanced stability of the water-based aerosol.The theoretical calculation methodology contributes to an abstemious time and space for sieving the water-based aerosol with desirable performance and stability,and provides the powerful guarantee to the homeland security.
基金Projects(U1802254,51871201)supported by the National Natural Science Foundation of ChinaProject(LY18E040003)supported by the Zhejiang Provincial Natural Science Foundation,China
文摘Three-dimensional ordered macro/mesoporous carbon(3DOM/m-C)with high specific surface area was synthesized by colloid crystal template method with chemical activation by KOH and used as the adsorbent for removing malachite green(MG)in aqueous solution.The microstructures of the adsorbents were characterized by FESEM,TEM and BET,and the effects of initial dye concentration,contact time,solution pH,and temperature on adsorption performance were investigated.The results show that the 3DOM/m-C exhibits extremely high adsorption capacity of 3541.1 mg/g within 2 h,which could be attributed to the novel ordered hierarchical structure with mesopores on three-dimensional ordered macroporous carbon walls.And the adsorption behavior conforms to the pseudo-second-order kinetic and Langmuir adsorption isotherm.3DOM/m-C can be recycled after being desorbed by absolute ethanol,and still maintains a high capacity of 2762.06 mg/g after 5 cycles.
基金Project(51406130) supported by the National Natural Science Foundation of China
文摘Organic Rankine cycle(ORC) is applicable for the heat-work conversion. Whereas, there also exist a lot issues that influence the efficiency and the cost of the system. In this work, eleven pure working fluids(as categorized into alkanes, and fluorinated alkanes) are investigated based on the first and second law of thermodynamics. The major objective is to obtain the most suitable working fluid for the latent heat source. The results show that the working fluid is an important factor of the system performance. The heat absorption of the working fluid in the evaporator is inversely proportional to the evaporating temperature, but the thermal and exergetic efficiencies are just the opposite. RC318 has the highest net power output and the lowest outlet temperature of the heat source, but its global warming potential(GWP) value is too high. The cyclohexane shows the highest thermal efficiency among the fluids investigated. Moreover, the figure of merit(FOM) of the isobutane is higher than that of other working fluids. Overall, the cyclohexane shows that the optimal comprehensive performance is more feasible for medium grade heat source in engineering applications.
基金Project(51574286)supported by the National Natural Science Foundation of China。
文摘Inner Mongolian serpentine ore was subjected to sulfuric acid leaching tests,and the effects of the leaching process parameters on the leaching efficiency of different metals were investigated.The leaching efficiency of Mg,Fe,Al,Ni,and Co reaches 93.98%,60.09%,82.08%,90.58%,and 94.06%,respectively,under the leaching conditions of 5 mol/L H_(2)SO_(4),liquid/solid ratio of 4 mL/g,and leaching temperature 100℃.Hence,the valuable metals in serpentine were effectively recovered by sulfuric acid leaching.The leaching behaviors of Mg,Fe,and a small amount of Al were analyzed using X-ray diffraction.The results show that the unreacted Mg and Fe remained as MgFe_(2)O_(4),and Al formed Al_(2)Si_(2)O_(5)(OH)_(4) in the leaching residue.The kinetics of Mg and Ni in the leaching process was studied respectively.The leaching kinetics of Mg conformed to the shrinking core model with an activation energy of 16.95 kJ/mol,which was controlled by the combination of the diffusion and chemical reaction.The leaching kinetics of Ni accorded with the Avrami equation with an activation energy of 11.57 kJ/mol,which was controlled by diffusion.In the study,the valuable metal elements were extracted from serpentine minerals with high efficiency and low cost,which possessed important practical values.
基金Project(51175518)supported by the National Natural Science Foundation of China
文摘To increase the efficiency and reliability of the thermodynamics analysis of the spool valve, the precise function expression of the flow area for the sloping U-shape notch orifice versus the spool stroke and thermal-hydraulic bond graph based on the conservation of mass and energy were introduced. Subsequently, the connection rule for the bond graph elements and the method to construct the complete thermal-hydraulic system model were proposed. On the basis of heat transfer analysis of a typical hydraulic circuit containing the spool valve, the lumped parameter for mathematical model of the system was given. At last, the reliability of the mathematical model of the flow area and the thermal-hydraulic system for the sloping U-shape notch orifice on the spool were demonstrated by the test. The good agreement between the simulation results and experimental data demonstrates the validity of the modeling method.
