The adsorption behaviors and mechanisms of gold from thiosulfate solution on strong-base anion exchange resin were systematically investigated.The comparison experiment of adsorption ability and selectivity for gold s...The adsorption behaviors and mechanisms of gold from thiosulfate solution on strong-base anion exchange resin were systematically investigated.The comparison experiment of adsorption ability and selectivity for gold showed that gel Amberlite IRA-400 resin with Type Ⅰ quaternary ammonium functional group had better adsorption performance.The increases of resin dosage,ammonia concentration and solution pH were favorable to gold adsorption,whereas the rises of cupric and thiosulfate concentrations were disadvantageous to gold loading.Microscopic characterization results indicated that gold was adsorbed in the form of [Au(S_(2)O_(3))_(2)]^(3–) complex anion by exchanging with the counter ion Cl^(–) in the functional group of the resin.Density functional theory calculation result manifested that gold adsorption was mainly depended on the hydrogen bond and van der Waals force generated between O atom in [Au(S_(2)O_(3))_(2)]^(3–) and H atom in the quaternary ammonium functional group of the resin.展开更多
This paper developed a statistical damage constitutive model for deep rock by considering the effects of external load and thermal treatment temperature based on the distortion energy.The model parameters were determi...This paper developed a statistical damage constitutive model for deep rock by considering the effects of external load and thermal treatment temperature based on the distortion energy.The model parameters were determined through the extremum features of stress−strain curve.Subsequently,the model predictions were compared with experimental results of marble samples.It is found that when the treatment temperature rises,the coupling damage evolution curve shows an S-shape and the slope of ascending branch gradually decreases during the coupling damage evolution process.At a constant temperature,confining pressure can suppress the expansion of micro-fractures.As the confining pressure increases the rock exhibits ductility characteristics,and the shape of coupling damage curve changes from an S-shape into a quasi-parabolic shape.This model can well characterize the influence of high temperature on the mechanical properties of deep rock and its brittleness-ductility transition characteristics under confining pressure.Also,it is suitable for sandstone and granite,especially in predicting the pre-peak stage and peak stress of stress−strain curve under the coupling action of confining pressure and high temperature.The relevant results can provide a reference for further research on the constitutive relationship of rock-like materials and their engineering applications.展开更多
A new kind offl biomedical titanium alloy, Ti-35Nb-4Sn-6Mo-9Zr, composed of non-toxic elements Nb, Mo, Zr and Sn with lower elastic modulus and higher strength was designed based on d-electron alloy design theory and ...A new kind offl biomedical titanium alloy, Ti-35Nb-4Sn-6Mo-9Zr, composed of non-toxic elements Nb, Mo, Zr and Sn with lower elastic modulus and higher strength was designed based on d-electron alloy design theory and JMatPro software using orthogonal experiment. The microstructure and basic mechanical properties of designed alloy were investigated. The results show that the alloy is composed of single fl equiaxed grains after solution treatment at 800 ~C. Compared with Ti-6A1-4V, the mechanical properties of the designed alloy are more excellent： E=65 GPa, σb=834 MPa, σ0.2=802 MPa, and σ=11%, which is expected to become a promising new type implanted material. The research approach adopted can reduce the experimental time and cost effectively, and get the ideal experimental results.展开更多
Mechanical reliability prediction (MRP) is an important task of mechanical reliability design. In the initial design stage (IDS), the lack of reliability data and some fuzzy characteristics of MRP make this work hardn...Mechanical reliability prediction (MRP) is an important task of mechanical reliability design. In the initial design stage (IDS), the lack of reliability data and some fuzzy characteristics of MRP make this work hardness. Because fuzzy synthetical assessment (FSA) can well utilize expert′s experience and fuzzy data, it is used to assess the influence factors of reliability. On the basis of the assessed results, the predicted value of reliability is inferred by the fuzzy inference system (FIS). This approach particularly suits to predict the reliability of complex machinery (including other products) in IDS, so that it can remedy some defects of the existing methods. An example is discussed to interpret how to utilize it.展开更多
It is crucial to understand the mechanism of low temperature CO oxidation reaction catalyzed by gold nanoparticles so as to find out the origin of the high catalytic reactivity and extend the indus‐trialization appli...It is crucial to understand the mechanism of low temperature CO oxidation reaction catalyzed by gold nanoparticles so as to find out the origin of the high catalytic reactivity and extend the indus‐trialization applications of nano gold catalysts. In this work, some theoretical works on CO adsorp‐tion, O2 adsorption, atomic oxygen adsorption, formation of surface gold oxide films, reaction mechanisms of CO oxidation involving O2 reaction with CO and O2 dissociation before reacting with CO on gold surfaces and Au/metal oxide were summarized, and the influences of coordination number, charge transfer and relativity of gold on CO oxidation reaction were briefly reviewed. It was found that CO reaction mechanism depended on the systems with or without oxide and the strong relativistic effects might play an important role in CO oxidation reaction on gold catalysts. In particular, the relativistic effects are related to the unique behaviors of CO adsorption, O adsorption, O2 activation on gold surfaces, effects of coordination number and the wide gap between the chem‐ical inertness of bulk gold and high catalytic activity of nano gold. The present work helps us to understand the CO oxidation reaction mechanism on gold catalysts and the influence of relativistic effects on gold catalysis.展开更多
1-amino-1-ethylamino-2,2-dinitroethylene （AEFOX-7） was synthesized by the reaction of 1,1- diamino-2,2-dinitroethylene （FOX-7） and ethylamine aqueous solution at 92 ℃. The the- oretical investigation on AEFOX-7 w...1-amino-1-ethylamino-2,2-dinitroethylene （AEFOX-7） was synthesized by the reaction of 1,1- diamino-2,2-dinitroethylene （FOX-7） and ethylamine aqueous solution at 92 ℃. The the- oretical investigation on AEFOX-7 was carried out by B3LYP/6-311＋＋G^＊＊ method. The IR frequencies and NMR chemical shifts were performed and compared with the experimental results. The thermal behavior of AEFOX-7 was studied with differential scanning calorimetry and thermal gravity-derivative thermogravimetry methods, and can be divided into a melting process and an exothermic decomposition process. The enthalpy, apparent activation energy and pre-exponential factor of the exothermic decomposition reaction were obtained as 374.88 kJ/mol, 169.7 kJ/mol, and 10^19.24 s^-1, respectively. The critical temperature of thermal explosion of AEFOX-7 is 145.2 ℃. The specific heat capacity of AEFOX-7 was determined with micro-DSC method and theoretical calculation method, and the molar heat capacity is 214.50 J/（mol K） at 298.15 K. The adiabatic time-to-explosion of AEFOX-7 was calculated to be a certain value between 1.38-1.40 s. The thermal stability of AEFOX-7 is much lower than that of FOX-7.展开更多
Let p be a prime, n be any positiv e integer, α(n,p) denotes the power of p in the factorization of n! . In this paper, we give an exact computing formula of the mean value ∑ n<Nα(n,p).
Photon-induced dissociation pathways of thymine are investigated with vacuum ultraviolet photoionization mass spectrometry and theoretical calculations. The photoionization mass spectra of thymine at different photon ...Photon-induced dissociation pathways of thymine are investigated with vacuum ultraviolet photoionization mass spectrometry and theoretical calculations. The photoionization mass spectra of thymine at different photon energy are measured and presented. By selecting suitable photon energy, exclusively molecular ion m/z=126 is obtained. At photon energy of 12.0 eV, the major ionic fragments at m/z=98, 97, 84, 83, 70, and 55 are obtained, which are assigned to C4H6N2O＋, C4H5N2O＋, C3H4N2O＋ （or C4H6NO＋）, C4H5NO＋, C2NO2＋, and C3H5N＋, respectively. With help of theoretical calculations, the detailed dissociation pathways of thymine at low energy are well established.展开更多
The brittle fracture probability and reliability are obtained in terms of dislocation mechanism of microcrack evolution. The statistical distribution functions and statistical deviations of elongation, strength, plast...The brittle fracture probability and reliability are obtained in terms of dislocation mechanism of microcrack evolution. The statistical distribution functions and statistical deviations of elongation, strength, plastic work, crack extension force, fracture foughness, critical and crack length, can be derived in a unified fashion.展开更多
A theoretical calculation method of the axial compressive strength of a high strength concrete with fibre reinforced plastics (FRP) constraint is proposed. It is shown by test verification that the FRP strength devoti...A theoretical calculation method of the axial compressive strength of a high strength concrete with fibre reinforced plastics (FRP) constraint is proposed. It is shown by test verification that the FRP strength devotion factor used for this method is in accordance with actual conditions. FRP is not up to the ultimate strength when the concrete reaches the ultimate strength, whose strength devotion factor is in the range of 0.28 to 0.59, which is related to an elastic modulus. The method can be used to estimate axial compressive strength of the concrete strengthened with FRP. The theoretical strength is 10% to 30% higher than the measured one. The deviation comes mainly from a non-ideal bonding condition of FRP-concrete interfaces and discrete property of the testing data of compressive strength.展开更多
In order to study the influence of microstructural texture on the growth of short fatigue cracks in metals, the nonequilibrium statistical theory of fatigue fracture correlating a microscopic mechanism with the macros...In order to study the influence of microstructural texture on the growth of short fatigue cracks in metals, the nonequilibrium statistical theory of fatigue fracture correlating a microscopic mechanism with the macroscopic properties is modified to take into consideration the microstructural features of a material, thereby allowing a rationalisation of the experimental data of short fatigue crack growth and long fatigue crack growth. The nonequilibrium statistical theory thus developed relates the growth of cracks with a dislocation mechanism to simulate short fatigue crack growth with the long fatigue crack growth behaviour and predicts the fatigue crack growth rates throughout the fatigue lifetime. The results is finally compared with that of other fatigue theories.展开更多
基金the financial support from the Natural Science Foundation of Hunan Province, China (No. 2023JJ40723)China Postdoctoral Science Foundation (No. 2022M723549)the National Natural Science Foundation of China (Nos. 52174271, 51504293)。
文摘The adsorption behaviors and mechanisms of gold from thiosulfate solution on strong-base anion exchange resin were systematically investigated.The comparison experiment of adsorption ability and selectivity for gold showed that gel Amberlite IRA-400 resin with Type Ⅰ quaternary ammonium functional group had better adsorption performance.The increases of resin dosage,ammonia concentration and solution pH were favorable to gold adsorption,whereas the rises of cupric and thiosulfate concentrations were disadvantageous to gold loading.Microscopic characterization results indicated that gold was adsorbed in the form of [Au(S_(2)O_(3))_(2)]^(3–) complex anion by exchanging with the counter ion Cl^(–) in the functional group of the resin.Density functional theory calculation result manifested that gold adsorption was mainly depended on the hydrogen bond and van der Waals force generated between O atom in [Au(S_(2)O_(3))_(2)]^(3–) and H atom in the quaternary ammonium functional group of the resin.
基金Project(11272119)supported by the National Natural Science Foundation of China。
文摘This paper developed a statistical damage constitutive model for deep rock by considering the effects of external load and thermal treatment temperature based on the distortion energy.The model parameters were determined through the extremum features of stress−strain curve.Subsequently,the model predictions were compared with experimental results of marble samples.It is found that when the treatment temperature rises,the coupling damage evolution curve shows an S-shape and the slope of ascending branch gradually decreases during the coupling damage evolution process.At a constant temperature,confining pressure can suppress the expansion of micro-fractures.As the confining pressure increases the rock exhibits ductility characteristics,and the shape of coupling damage curve changes from an S-shape into a quasi-parabolic shape.This model can well characterize the influence of high temperature on the mechanical properties of deep rock and its brittleness-ductility transition characteristics under confining pressure.Also,it is suitable for sandstone and granite,especially in predicting the pre-peak stage and peak stress of stress−strain curve under the coupling action of confining pressure and high temperature.The relevant results can provide a reference for further research on the constitutive relationship of rock-like materials and their engineering applications.
基金Project(BE2011778)supported by Science and Technology Support Program of Jiangsu Province,ChinaProject(20133069014)supported by Aeronautical Science Foundation of China
文摘A new kind offl biomedical titanium alloy, Ti-35Nb-4Sn-6Mo-9Zr, composed of non-toxic elements Nb, Mo, Zr and Sn with lower elastic modulus and higher strength was designed based on d-electron alloy design theory and JMatPro software using orthogonal experiment. The microstructure and basic mechanical properties of designed alloy were investigated. The results show that the alloy is composed of single fl equiaxed grains after solution treatment at 800 ~C. Compared with Ti-6A1-4V, the mechanical properties of the designed alloy are more excellent： E=65 GPa, σb=834 MPa, σ0.2=802 MPa, and σ=11%, which is expected to become a promising new type implanted material. The research approach adopted can reduce the experimental time and cost effectively, and get the ideal experimental results.
文摘Mechanical reliability prediction (MRP) is an important task of mechanical reliability design. In the initial design stage (IDS), the lack of reliability data and some fuzzy characteristics of MRP make this work hardness. Because fuzzy synthetical assessment (FSA) can well utilize expert′s experience and fuzzy data, it is used to assess the influence factors of reliability. On the basis of the assessed results, the predicted value of reliability is inferred by the fuzzy inference system (FIS). This approach particularly suits to predict the reliability of complex machinery (including other products) in IDS, so that it can remedy some defects of the existing methods. An example is discussed to interpret how to utilize it.
基金supported by the National Natural Science Foundation of China (21103165)
文摘It is crucial to understand the mechanism of low temperature CO oxidation reaction catalyzed by gold nanoparticles so as to find out the origin of the high catalytic reactivity and extend the indus‐trialization applications of nano gold catalysts. In this work, some theoretical works on CO adsorp‐tion, O2 adsorption, atomic oxygen adsorption, formation of surface gold oxide films, reaction mechanisms of CO oxidation involving O2 reaction with CO and O2 dissociation before reacting with CO on gold surfaces and Au/metal oxide were summarized, and the influences of coordination number, charge transfer and relativity of gold on CO oxidation reaction were briefly reviewed. It was found that CO reaction mechanism depended on the systems with or without oxide and the strong relativistic effects might play an important role in CO oxidation reaction on gold catalysts. In particular, the relativistic effects are related to the unique behaviors of CO adsorption, O adsorption, O2 activation on gold surfaces, effects of coordination number and the wide gap between the chem‐ical inertness of bulk gold and high catalytic activity of nano gold. The present work helps us to understand the CO oxidation reaction mechanism on gold catalysts and the influence of relativistic effects on gold catalysis.
文摘1-amino-1-ethylamino-2,2-dinitroethylene （AEFOX-7） was synthesized by the reaction of 1,1- diamino-2,2-dinitroethylene （FOX-7） and ethylamine aqueous solution at 92 ℃. The the- oretical investigation on AEFOX-7 was carried out by B3LYP/6-311＋＋G^＊＊ method. The IR frequencies and NMR chemical shifts were performed and compared with the experimental results. The thermal behavior of AEFOX-7 was studied with differential scanning calorimetry and thermal gravity-derivative thermogravimetry methods, and can be divided into a melting process and an exothermic decomposition process. The enthalpy, apparent activation energy and pre-exponential factor of the exothermic decomposition reaction were obtained as 374.88 kJ/mol, 169.7 kJ/mol, and 10^19.24 s^-1, respectively. The critical temperature of thermal explosion of AEFOX-7 is 145.2 ℃. The specific heat capacity of AEFOX-7 was determined with micro-DSC method and theoretical calculation method, and the molar heat capacity is 214.50 J/（mol K） at 298.15 K. The adiabatic time-to-explosion of AEFOX-7 was calculated to be a certain value between 1.38-1.40 s. The thermal stability of AEFOX-7 is much lower than that of FOX-7.
文摘Let p be a prime, n be any positiv e integer, α(n,p) denotes the power of p in the factorization of n! . In this paper, we give an exact computing formula of the mean value ∑ n<Nα(n,p).
基金This work was supported by the Chinese Academy of Sciences and the National Natural Science Foundation of China （No.10805047）. Authors appreciate the kind help from Dr. Yang Pan in experiments.
文摘Photon-induced dissociation pathways of thymine are investigated with vacuum ultraviolet photoionization mass spectrometry and theoretical calculations. The photoionization mass spectra of thymine at different photon energy are measured and presented. By selecting suitable photon energy, exclusively molecular ion m/z=126 is obtained. At photon energy of 12.0 eV, the major ionic fragments at m/z=98, 97, 84, 83, 70, and 55 are obtained, which are assigned to C4H6N2O＋, C4H5N2O＋, C3H4N2O＋ （or C4H6NO＋）, C4H5NO＋, C2NO2＋, and C3H5N＋, respectively. With help of theoretical calculations, the detailed dissociation pathways of thymine at low energy are well established.
文摘The brittle fracture probability and reliability are obtained in terms of dislocation mechanism of microcrack evolution. The statistical distribution functions and statistical deviations of elongation, strength, plastic work, crack extension force, fracture foughness, critical and crack length, can be derived in a unified fashion.
文摘A theoretical calculation method of the axial compressive strength of a high strength concrete with fibre reinforced plastics (FRP) constraint is proposed. It is shown by test verification that the FRP strength devotion factor used for this method is in accordance with actual conditions. FRP is not up to the ultimate strength when the concrete reaches the ultimate strength, whose strength devotion factor is in the range of 0.28 to 0.59, which is related to an elastic modulus. The method can be used to estimate axial compressive strength of the concrete strengthened with FRP. The theoretical strength is 10% to 30% higher than the measured one. The deviation comes mainly from a non-ideal bonding condition of FRP-concrete interfaces and discrete property of the testing data of compressive strength.
文摘In order to study the influence of microstructural texture on the growth of short fatigue cracks in metals, the nonequilibrium statistical theory of fatigue fracture correlating a microscopic mechanism with the macroscopic properties is modified to take into consideration the microstructural features of a material, thereby allowing a rationalisation of the experimental data of short fatigue crack growth and long fatigue crack growth. The nonequilibrium statistical theory thus developed relates the growth of cracks with a dislocation mechanism to simulate short fatigue crack growth with the long fatigue crack growth behaviour and predicts the fatigue crack growth rates throughout the fatigue lifetime. The results is finally compared with that of other fatigue theories.
