Polynitrogen compounds, comprising only nitrogen atoms, are rare. They are considered as promising candidates of clean(green) high energy density materials because of their high energy content and their sole decomposi...Polynitrogen compounds, comprising only nitrogen atoms, are rare. They are considered as promising candidates of clean(green) high energy density materials because of their high energy content and their sole decomposition product is N_2. Extending the previous work which was on cyclic N_8 isomers, in this study some cyclic N_(10) isomers having 1-4 cycles are considered within the limitations of density functional theory at the levels of B3LYP/6-311++G(d,p) and B3LYP/cc-PVTZ. Some of the structures,including the monocyclic one, decompose by eliminating certain number of N_2 units while some remain intact. All the stable isomers(1-3, 6-8) investigated presently are highly endothermic that they are candidates for clean high energy materials. Certain quantum chemical properties, IR and UV-VIS spectra as well as the specific impulse values for the stable structures are reported.展开更多
An insoluble β-cyclodextrin polymer cross-linked with epichlorohydrin was prepared, and its structure was identified with infrared spectrum. Colloid stationary phase was prepared by dissolving the polymer in the mixe...An insoluble β-cyclodextrin polymer cross-linked with epichlorohydrin was prepared, and its structure was identified with infrared spectrum. Colloid stationary phase was prepared by dissolving the polymer in the mixed solvent of diisopropyl ether, methylene dichloride and benzene and treated for 0.5 h by ultrasonication, and then was coated on a fused silica capillary column. The optimun reaction conditions are as follows: the mole ratio of epichlohydrin to β-cyclodextrin is 12.1:1, reacting at 65 °C for 24 h. The Chromatographic performance such as column efficiency, thermal stabilities and polarity were studied, two kinds of disubstituted benzene isomers and eight pairs of enantiomers were separated on the capillary column. The results show that the β-cyclodextrin polymer is suitable for use as a capillary gas chromatographic stationary phase, and possess excellent chromatographic properties in separating enantiomers and position isomers.展开更多
Effects of butanol isomers on characteristics of combustion and emission were studied on PFI SI engine. Experiments were operated under the condition of 3 and 5 bar brake mean effective pressure (BMEP) engine loads an...Effects of butanol isomers on characteristics of combustion and emission were studied on PFI SI engine. Experiments were operated under the condition of 3 and 5 bar brake mean effective pressure (BMEP) engine loads and different equivalence ratios (φ=0.83-1.25) with engine speed of 1200 r/min using blends made of 70 vol.% gasoline and 30 vol.% butanol isomers (N30, S30, I30 and T30). The results indicated that compared with gasoline, all butanol isomer blends have higher cylinder pressure. N30 has the highest and most advanced peak pressure, and T30 shows a higher brake specific fuel consumption (BSFC) and lower brake thermal efficiency (BTE). N30 presents a lower UHC emissions and I30 has slightly higher CO emissions than other blends. For unregulated emissions, compared with gasoline, butanol isomer blends have higher acetaldehyde, and N30 produces a higher emission of 1,3-butadiene than other blends. A reduction in benzene, toluene, ethylbenzene and xylene (BTEX) has been found with butanol isomer blends.展开更多
Two pairs of structural isomers isolated from Aconitum nagarum var.lasiandrum have been differentiated by ESI MS using hydroxylamine hydrochloride(NH2OH·HCl) derivative method.
In order to achieve a wider range of ionizing radiations detection,novel fluorescence sensing materials have been developed that utilize the fluorescence enhancement phenomenon caused by the intramolecular photoinduce...In order to achieve a wider range of ionizing radiations detection,novel fluorescence sensing materials have been developed that utilize the fluorescence enhancement phenomenon caused by the intramolecular photoinduced electron transfer(PET)effect.Two perylene diimide isomers PDI-P and PDI-B were designed and synthesized,and their molecular structures were characterized by high-resolution Fourier transform mass spectrometry(HRMS),nuclear magnetic resonance hydrogen and carbon spectroscopy(~1H and~(13)C NMR).The interaction between ionizing radiation and fluorescent molecules was simulated by HCl titration.The results show that combining PDIs and HCl can improve fluorescence through the retro-PET process.Despite the similarities in chemical structures,the fluorescent enhancement multiple of PDI-B with aromatic amine as electron donor is much higher than that of PDI-P with alkyl amine.In the direct irradiation experiments of ionizing radiation,the emission enhancement multiples of PDI-P and PDI-B are 2.01 and 45.4,respectively.Furthermore,density functional theory(DFT)and time-dependent density functional theory(TDDFT)calculations indicate that the HOMO and HOMO-1 energy ranges of PDI-P and PDI-B are 0.54 e V and 1.13 e V,respectively.A wider energy range has a stronger driving force on electrons,which is conducive to fluorescence quenching.Both femtosecond transient absorption spectroscopy(fs-TAS)and transient fluorescence spectroscopy(TFS)tests show that PDI-B has shorter charge separation lifetime and higher electron transfer rate constant.Although both isomers can significantly reduce LOD during PET process,PDI-B with aromatic amine has a wider detection range of 0.118—240 Gy due to its larger emission enhancement,which is a leap of three orders of magnitude.It breaks through the detection range of gamma radiation reported in existing studies,and provides theoretical support for the further study of sensitive and effective new materials for ionizing radiation detection.展开更多
The effect of non-magnetic Al^3＋ ion doping on the magnetic properties of MnFe2-2x Al2xO4 （0 ≤x≤ 0.4） spinel ferrites was studied using Moessbauer spectroscopy measurements at room temperature. From the Moessbaue...The effect of non-magnetic Al^3＋ ion doping on the magnetic properties of MnFe2-2x Al2xO4 （0 ≤x≤ 0.4） spinel ferrites was studied using Moessbauer spectroscopy measurements at room temperature. From the Moessbauer study, it is observed that the ：esolved hyperfine sextets are due to the distribution of Fe ions on the two sublattices of the spinel ferrites. The value of the isomer shift obtained from the fitting of the Moessbauer spectra indicates that Fe ions are in ＋3 state. A paramagnetic doublet is observed at ：iegree of inversion x=0.4, superimposed on the hyperfine sextets, indicating that the super-exchange interaction A-B decreases due to ：he dilution of sublattice by Al^3＋ ions. The hyperfine magnetic field decreases at both interstitial sites of tetrahedral （A） and 3ctahedral （B） with the increase in Al concentration.展开更多
The mixed spinel ferrite system Mg0.95Mn0.05Fe2-2xTizxO4 （0 ≤x ≤ 0.7） was synthesized by the conventional solid-state reaction technique. The effect of Ti^4＋ doping was studied by using the Moessbauer spectroscop...The mixed spinel ferrite system Mg0.95Mn0.05Fe2-2xTizxO4 （0 ≤x ≤ 0.7） was synthesized by the conventional solid-state reaction technique. The effect of Ti^4＋ doping was studied by using the Moessbauer spectroscopy measurements at room temperature. From the analysis of the Moessbauer spectra, it is observed that s-electron density, electric field gradient （EFG）, quadrupole coupling constant （QCC） and the net hyperfine magnetic fields acting on the Moessbauer nuclei-FeA^3＋ and FeB^3＋ change with the increase of Ti^4＋ doping in Mg0.95Mn0.05Fe2O4. The hyperfine magnetic field decreases with the increase of Ti^4＋ doping.展开更多
文摘Polynitrogen compounds, comprising only nitrogen atoms, are rare. They are considered as promising candidates of clean(green) high energy density materials because of their high energy content and their sole decomposition product is N_2. Extending the previous work which was on cyclic N_8 isomers, in this study some cyclic N_(10) isomers having 1-4 cycles are considered within the limitations of density functional theory at the levels of B3LYP/6-311++G(d,p) and B3LYP/cc-PVTZ. Some of the structures,including the monocyclic one, decompose by eliminating certain number of N_2 units while some remain intact. All the stable isomers(1-3, 6-8) investigated presently are highly endothermic that they are candidates for clean high energy materials. Certain quantum chemical properties, IR and UV-VIS spectra as well as the specific impulse values for the stable structures are reported.
文摘An insoluble β-cyclodextrin polymer cross-linked with epichlorohydrin was prepared, and its structure was identified with infrared spectrum. Colloid stationary phase was prepared by dissolving the polymer in the mixed solvent of diisopropyl ether, methylene dichloride and benzene and treated for 0.5 h by ultrasonication, and then was coated on a fused silica capillary column. The optimun reaction conditions are as follows: the mole ratio of epichlohydrin to β-cyclodextrin is 12.1:1, reacting at 65 °C for 24 h. The Chromatographic performance such as column efficiency, thermal stabilities and polarity were studied, two kinds of disubstituted benzene isomers and eight pairs of enantiomers were separated on the capillary column. The results show that the β-cyclodextrin polymer is suitable for use as a capillary gas chromatographic stationary phase, and possess excellent chromatographic properties in separating enantiomers and position isomers.
基金Projects(51776016,51606006) supported by the National Natural Science Foundation of ChinaProjects(3172025,3182030) supported by Beijing Natural Science Foundation,China+4 种基金Project(2017YFB0103401) supported by National Key Research and Development ProgramProject(NELMS2017A10) funded by the National Engineering Laboratory for Mobile Source Emission Control Technology,ChinaProject(2018RC017) supported by the Talents Foundation of Beijing Jiaotong University,ChinaProject(DE-EE0006864) supported by the Department of EnergyProject(201507090044) supported by China Scholarship Council
文摘Effects of butanol isomers on characteristics of combustion and emission were studied on PFI SI engine. Experiments were operated under the condition of 3 and 5 bar brake mean effective pressure (BMEP) engine loads and different equivalence ratios (φ=0.83-1.25) with engine speed of 1200 r/min using blends made of 70 vol.% gasoline and 30 vol.% butanol isomers (N30, S30, I30 and T30). The results indicated that compared with gasoline, all butanol isomer blends have higher cylinder pressure. N30 has the highest and most advanced peak pressure, and T30 shows a higher brake specific fuel consumption (BSFC) and lower brake thermal efficiency (BTE). N30 presents a lower UHC emissions and I30 has slightly higher CO emissions than other blends. For unregulated emissions, compared with gasoline, butanol isomer blends have higher acetaldehyde, and N30 produces a higher emission of 1,3-butadiene than other blends. A reduction in benzene, toluene, ethylbenzene and xylene (BTEX) has been found with butanol isomer blends.
文摘Two pairs of structural isomers isolated from Aconitum nagarum var.lasiandrum have been differentiated by ESI MS using hydroxylamine hydrochloride(NH2OH·HCl) derivative method.
基金financial support from the National Natural Science Foundation of China(Grant No.21801016)the Science and Technology on Applied Physical Chemistry Laboratory(Grant No.6142602220304)。
文摘In order to achieve a wider range of ionizing radiations detection,novel fluorescence sensing materials have been developed that utilize the fluorescence enhancement phenomenon caused by the intramolecular photoinduced electron transfer(PET)effect.Two perylene diimide isomers PDI-P and PDI-B were designed and synthesized,and their molecular structures were characterized by high-resolution Fourier transform mass spectrometry(HRMS),nuclear magnetic resonance hydrogen and carbon spectroscopy(~1H and~(13)C NMR).The interaction between ionizing radiation and fluorescent molecules was simulated by HCl titration.The results show that combining PDIs and HCl can improve fluorescence through the retro-PET process.Despite the similarities in chemical structures,the fluorescent enhancement multiple of PDI-B with aromatic amine as electron donor is much higher than that of PDI-P with alkyl amine.In the direct irradiation experiments of ionizing radiation,the emission enhancement multiples of PDI-P and PDI-B are 2.01 and 45.4,respectively.Furthermore,density functional theory(DFT)and time-dependent density functional theory(TDDFT)calculations indicate that the HOMO and HOMO-1 energy ranges of PDI-P and PDI-B are 0.54 e V and 1.13 e V,respectively.A wider energy range has a stronger driving force on electrons,which is conducive to fluorescence quenching.Both femtosecond transient absorption spectroscopy(fs-TAS)and transient fluorescence spectroscopy(TFS)tests show that PDI-B has shorter charge separation lifetime and higher electron transfer rate constant.Although both isomers can significantly reduce LOD during PET process,PDI-B with aromatic amine has a wider detection range of 0.118—240 Gy due to its larger emission enhancement,which is a leap of three orders of magnitude.It breaks through the detection range of gamma radiation reported in existing studies,and provides theoretical support for the further study of sensitive and effective new materials for ionizing radiation detection.
基金Project supported by the Second Stage of Brain Korea 21 ProjectProject(RTI04-01-03) supported by the Regional Technology Innovation Program of the Ministry of Knowledge Economy (MKE),Korea
文摘The effect of non-magnetic Al^3＋ ion doping on the magnetic properties of MnFe2-2x Al2xO4 （0 ≤x≤ 0.4） spinel ferrites was studied using Moessbauer spectroscopy measurements at room temperature. From the Moessbauer study, it is observed that the ：esolved hyperfine sextets are due to the distribution of Fe ions on the two sublattices of the spinel ferrites. The value of the isomer shift obtained from the fitting of the Moessbauer spectra indicates that Fe ions are in ＋3 state. A paramagnetic doublet is observed at ：iegree of inversion x=0.4, superimposed on the hyperfine sextets, indicating that the super-exchange interaction A-B decreases due to ：he dilution of sublattice by Al^3＋ ions. The hyperfine magnetic field decreases at both interstitial sites of tetrahedral （A） and 3ctahedral （B） with the increase in Al concentration.
基金Project supported by the Second Stage of Brain Korea 21 ProjectProject(RTI04-01-03) supported by the Regional Technology Innovation Program of the Ministry of Knowledge Economy (MKE),Korea
文摘The mixed spinel ferrite system Mg0.95Mn0.05Fe2-2xTizxO4 （0 ≤x ≤ 0.7） was synthesized by the conventional solid-state reaction technique. The effect of Ti^4＋ doping was studied by using the Moessbauer spectroscopy measurements at room temperature. From the analysis of the Moessbauer spectra, it is observed that s-electron density, electric field gradient （EFG）, quadrupole coupling constant （QCC） and the net hyperfine magnetic fields acting on the Moessbauer nuclei-FeA^3＋ and FeB^3＋ change with the increase of Ti^4＋ doping in Mg0.95Mn0.05Fe2O4. The hyperfine magnetic field decreases with the increase of Ti^4＋ doping.
