During faults in a distribution network,the output power of a distributed generation(DG)may be uncertain.Moreover,the output currents of distributed power sources are also affected by the output power,resulting in unc...During faults in a distribution network,the output power of a distributed generation(DG)may be uncertain.Moreover,the output currents of distributed power sources are also affected by the output power,resulting in uncertainties in the calculation of the short-circuit current at the time of a fault.Additionally,the impacts of such uncertainties around short-circuit currents will increase with the increase of distributed power sources.Thus,it is very important to develop a method for calculating the short-circuit current while considering the uncertainties in a distribution network.In this study,an affine arithmetic algorithm for calculating short-circuit current intervals in distribution networks with distributed power sources while considering power fluctuations is presented.The proposed algorithm includes two stages.In the first stage,normal operations are considered to establish a conservative interval affine optimization model of injection currents in distributed power sources.Constrained by the fluctuation range of distributed generation power at the moment of fault occurrence,the model can then be used to solve for the fluctuation range of injected current amplitudes in distributed power sources.The second stage is implemented after a malfunction occurs.In this stage,an affine optimization model is first established.This model is developed to characterizes the short-circuit current interval of a transmission line,and is constrained by the fluctuation range of the injected current amplitude of DG during normal operations.Finally,the range of the short-circuit current amplitudes of distribution network lines after a short-circuit fault occurs is predicted.The algorithm proposed in this article obtains an interval range containing accurate results through interval operation.Compared with traditional point value calculation methods,interval calculation methods can provide more reliable analysis and calculation results.The range of short-circuit current amplitude obtained by this algorithm is slightly larger than those obtained using the Monte Carlo algorithm and the Latin hypercube sampling algorithm.Therefore,the proposed algorithm has good suitability and does not require iterative calculations,resulting in a significant improvement in computational speed compared to the Monte Carlo algorithm and the Latin hypercube sampling algorithm.Furthermore,the proposed algorithm can provide more reliable analysis and calculation results,improving the safety and stability of power systems.展开更多
When using the ATP-EMTP software to simulate the electromagnetic transient of local line or nearby line for a large area power grid, it is necessary to divide the area grid into internal network and external network s...When using the ATP-EMTP software to simulate the electromagnetic transient of local line or nearby line for a large area power grid, it is necessary to divide the area grid into internal network and external network so as to make the external network simple for the restriction of the simulation calculation scale of software. Based on the existing equivalence method, in this paper we proposed a practical equivalent method using the short-circuit calculation program of PSASP. In this way, we completed the equivalence of northwest power grid operating at the large mode of summer 2016. By comparing the power flow and the characteristics of short-circuit in the system before and after the equivalence, this equivalent method is proved to be correct.展开更多
The title compound [2-(2,6-dioxacyclohexyl)-5-methoxylphenols]2 was synthesized by the reaction of 2-hydroxyl-3-methoxylbenzaldehyde and 1,3-propanediol in the presence of DMF-DMS adduct and characterized by IR spec...The title compound [2-(2,6-dioxacyclohexyl)-5-methoxylphenols]2 was synthesized by the reaction of 2-hydroxyl-3-methoxylbenzaldehyde and 1,3-propanediol in the presence of DMF-DMS adduct and characterized by IR spectrum, UV-Vis spectrum and X-ray crystallography. The title compound belongs to monoclinic, space group P21 with a = 9.8967(10), b = 8.2240(9), c = 13.3654(14) A^°, β= 90.016(2)°, C11H14O4, Mr = 210.22, V = 1087.8(2)A^°3, Z = 4, Dc = 1.284 Mg/m^3, F(000) = 448,μ = 0.098 mm^-1, the final R = 0.0300 and wR = 0.0761 for 2070 observed reflections with I 〉 2σ(I). The molecules are connected via intermolecular O-H…O hydrogen bonds into a 2D network structure. Moreover, theoretical investigations of the title compound with HF/6-31G(d) method were performed, and its stability, frontier molecular orbital composition and Mulliken charge distribution were also discussed. The compound is a bis-molecule. The two molecules stay together and could not be separated. Two crystallographically independent molecules exist in an asymmetric unit. The bond lengths and bond angles of the two molecules are slightly different with each other.展开更多
We have prepared the 2-(quinolin-8-yloxy)-acetic acid and characterized it by infrared and Raman spectroscopies in the solid phase. The Density Functional Theory (DFT) method, together with the 6-31G^* and 6-311...We have prepared the 2-(quinolin-8-yloxy)-acetic acid and characterized it by infrared and Raman spectroscopies in the solid phase. The Density Functional Theory (DFT) method, together with the 6-31G^* and 6-311++ G^** basis sets, show that three stable molecules, for the anhydrous and monohydrated compounds were theoretically determined in the gas phase, and that probably the two more stable conformations are present in the solid phase of the monohydrated compound. The harmonic vibrational wavenumbers for the optimized geometries were calculated at B3LYP/6-31G^*and B3LYP/6-311++G^** levels. For a complete assignment of all the observed bands in the vibrational spectra the DFT calculations were combined with Pulay's scaled quantum mechanical force field (SQMFF) methodology in order to fit the theoretical Wavenumber values to the experimental ones. The characteristics of the electronic delocalization of all structures of both forms were performed by using natural bond orbital (NBO), while the corresponding topological properties of electronic charge density are analysed by employing Bader's atoms in molecules theory (AIM).展开更多
A novel copper(Ⅱ) complex with tert-butyl 2-[N-(tert-butyloxycarbonylmethyl)-2-picolyamino]acetate(ampy) was synthesized and structurally characterized by elemental analysis, FT-IR spectrum, electrospray ioniza...A novel copper(Ⅱ) complex with tert-butyl 2-[N-(tert-butyloxycarbonylmethyl)-2-picolyamino]acetate(ampy) was synthesized and structurally characterized by elemental analysis, FT-IR spectrum, electrospray ionization-mass spectrometry, UV-vis spectrum and single-crystal X-ray diffraction, respectively. A mononuclear copper(II) complex with ampy, [Cu(ampy)Cl2](1), was formed irrespective of the metal-to-ligand molar ratios([Cu2+]:[ampy] = 0.5:1, 1:1, and 2:1) as a single product. Complex 1 crystallizes in the orthorhombic system, space group Pbca with a = 12.343(2), b = 18.928(3), c = 20.058(4) A, V = 4686.1(14) A3, Z = 8, Dc = 1.3349(4) g/cm3, F(000) = 1920, S = 1.016, R = 0.0693 and w R = 0.1721 for 3151 observed reflections with I 〉 2σ(I). X-ray diffraction analysis reveals that the central copper(II) ion is bound by pyridyl N, tertiary amine N and carbonyl O atoms of the quadridentate ampy as well as two Cl anions, constructing a slightly distorted octahedral geometry. Complex 1 further constructs a stable 3D supramolecular architecture by intermolecular C–H…Cl hydrogen bonds. In addition, the molecular geometry was calculated by density functional theory(DFT/B3LYP) method with the basis sets(6-31+G(d,p) for H, C, N, O and Cl atoms, and LANL2 DZ for Cu atom, respectively). The calculated results show that the optimized geometrical parameters are in good agreement with the experimental data. Natural bond orbital(NBO) analysis and frontier molecular orbitals(FMOs) analysis were investigated at the same level.展开更多
Abstract In this study, the proton and neutron densities, charge densities, rms nuclear charge radii, rms nuclear mass radii, rms nuclear proton, neutron radii, and neutron skin thickness are calculated by using Harfr...Abstract In this study, the proton and neutron densities, charge densities, rms nuclear charge radii, rms nuclear mass radii, rms nuclear proton, neutron radii, and neutron skin thickness are calculated by using Harfree-Fock method with an effective nucleon-nucleon Skyrme interactions with SⅠ, SⅡ, SⅣ, T3, SKM, and SKM^* parameters. These nuclear properties for the neutron-rich isotopes of B (Boron) are presented. The calculated results are compared with the experimental and theoretical results of other researchers.展开更多
Applying calculation method in alloy design should be an important tendency due to its characters of inexpensive cost, high efficiency and prediction. DOS calculations of AuSn, AsSn and SbSn Sn- based alloys have ...Applying calculation method in alloy design should be an important tendency due to its characters of inexpensive cost, high efficiency and prediction. DOS calculations of AuSn, AsSn and SbSn Sn- based alloys have been investigated by employing DV - Xa method, in which different cluster models were adopted to calculate electron structure.It is proved that some regulations must be taken into ac- count in order to carry out alloy design calculation successfully,which are described in this paper in detail.展开更多
The title compound was synthesized by the base catalyzed reaction of 5-((quinolin- 8-yloxy)methyl)-1,3,4-oxadiazole-2(3H)-thione with methyl chloroacetate. The structure was supported by the spectroscopic data a...The title compound was synthesized by the base catalyzed reaction of 5-((quinolin- 8-yloxy)methyl)-1,3,4-oxadiazole-2(3H)-thione with methyl chloroacetate. The structure was supported by the spectroscopic data and unambiguously confirmed by single-crystal X-ray diffraction studies. It crystallizes from a methanol solution in the triclinic space group Pi with unit cell dimensions a = 7.4509(9), b = 10.2389(12), c = 12.2299(15)A, a = 74.771(2), β = 77.956(2), 7 = 69.263(2)°, V = 834.98(17) A3 and Z = 2. In order to gain some valuable insights into the molecular structure, the quantum mechanical calculations were performed using both HF and time-dependent density functional theory at the B3LYP/6-31G(d,p) level. The molecular geometry from X-ray determination of the title compound in the ground state has been compared using the Hartree-Fock (HF) and density functional theory (DFT) with the 6-31G(d) basis set. The calculated results show that the DFT and HF can well reproduce the structure of the title compound. The energetic behavior of the title compound was examined using the B3LYP method with the 6-31G(d) basis set. The harmonic vibrational frequencies calculated have been compared with the experimental FTIR and FT-Raman spectra. The restricted Hartree-Fock and density functional theory-based nuclear magnetic resonance (NMR) calculation procedure was also performed, and it was used for assigning the 13C and 1H NMR chemical shifts of the title compound. Moreover, molecular electrostatic potential and thermodynamic parameters of the title compound were investigated by theoretical calculations.展开更多
A 330-500 GHz zero-biased broadband monolithic integrated tripler is reported. The measured results show that the maximum efficiency and the maximum output power are 2% and 194μW at 348 GHz. The saturation characteri...A 330-500 GHz zero-biased broadband monolithic integrated tripler is reported. The measured results show that the maximum efficiency and the maximum output power are 2% and 194μW at 348 GHz. The saturation characteristic test shows that the output i dB compression point is about -8.5 dBm at 334 GHz and the maximum efficiency is obtained at the point, which is slightly below the 1 dB compression point. Compared with the conventional hybrid integrated circuit, a major advantage of the monolithic integrated circuit is the significant improvement of reliability and consistency. In this work, a terahertz monolithic frequency multiplier at this band is designed and fabricated.展开更多
In recent years,several failures of double circuit transmission line on the same tower due to lightning were happened in Beijing power grid.Although it can be reclosed successful,the lightning strike caused a grave th...In recent years,several failures of double circuit transmission line on the same tower due to lightning were happened in Beijing power grid.Although it can be reclosed successful,the lightning strike caused a grave threat to the power grid security.The cause of the accident and the accident process were studied for the sake of further understanding of the impact of lightning on power grid.As an example,110 kV double circuit transmission line(Xilong-line) was analyzed.At first,the system topology was given.Through the analysis on relay protection actions and the fault recorder data,over voltage on the insulator strings was calculated.Based on the analysis and the calculation,accident cause and the process were presented respectively.Secondly,it comes to the conclusion that the lightning failure was caused by counterattack.The wave of the lightning over voltage would spread to the not grounded neutral point of the transformers,and make the neutral protective gap breakdown,then cause freewheeling with the frequency of 50 Hz.As results of the relay protection,the double circuit transmission line all tripped out.Finally,the causes of the accident were proposed that included terrain features,large corner towers,strong thunderstorm weather and poor grounded contact of the tower.展开更多
Thermal manikin plays important roles in simulating thethermal state of human bodies to facilitate the evaluationof thermal comfort properties of various clothing assem-blies.Based on the heat balance principle and an...Thermal manikin plays important roles in simulating thethermal state of human bodies to facilitate the evaluationof thermal comfort properties of various clothing assem-blies.Based on the heat balance principle and analysis ofrelated factors,the heat production rate of manikin isrecommended as an efficient evaluation index.Whereas,its inside heat production which occurs as a result of theexistence of temperature difference between its insidepart and outside surface,should not be ignored.Through a series of theoretical analysis and calculations,a compensative equation is deduced in this paper.展开更多
基金This article was supported by the general project“Research on Wind and Photovoltaic Fault Characteristics and Practical Short Circuit Calculation Model”(521820200097)of Jiangxi Electric Power Company.
文摘During faults in a distribution network,the output power of a distributed generation(DG)may be uncertain.Moreover,the output currents of distributed power sources are also affected by the output power,resulting in uncertainties in the calculation of the short-circuit current at the time of a fault.Additionally,the impacts of such uncertainties around short-circuit currents will increase with the increase of distributed power sources.Thus,it is very important to develop a method for calculating the short-circuit current while considering the uncertainties in a distribution network.In this study,an affine arithmetic algorithm for calculating short-circuit current intervals in distribution networks with distributed power sources while considering power fluctuations is presented.The proposed algorithm includes two stages.In the first stage,normal operations are considered to establish a conservative interval affine optimization model of injection currents in distributed power sources.Constrained by the fluctuation range of distributed generation power at the moment of fault occurrence,the model can then be used to solve for the fluctuation range of injected current amplitudes in distributed power sources.The second stage is implemented after a malfunction occurs.In this stage,an affine optimization model is first established.This model is developed to characterizes the short-circuit current interval of a transmission line,and is constrained by the fluctuation range of the injected current amplitude of DG during normal operations.Finally,the range of the short-circuit current amplitudes of distribution network lines after a short-circuit fault occurs is predicted.The algorithm proposed in this article obtains an interval range containing accurate results through interval operation.Compared with traditional point value calculation methods,interval calculation methods can provide more reliable analysis and calculation results.The range of short-circuit current amplitude obtained by this algorithm is slightly larger than those obtained using the Monte Carlo algorithm and the Latin hypercube sampling algorithm.Therefore,the proposed algorithm has good suitability and does not require iterative calculations,resulting in a significant improvement in computational speed compared to the Monte Carlo algorithm and the Latin hypercube sampling algorithm.Furthermore,the proposed algorithm can provide more reliable analysis and calculation results,improving the safety and stability of power systems.
文摘When using the ATP-EMTP software to simulate the electromagnetic transient of local line or nearby line for a large area power grid, it is necessary to divide the area grid into internal network and external network so as to make the external network simple for the restriction of the simulation calculation scale of software. Based on the existing equivalence method, in this paper we proposed a practical equivalent method using the short-circuit calculation program of PSASP. In this way, we completed the equivalence of northwest power grid operating at the large mode of summer 2016. By comparing the power flow and the characteristics of short-circuit in the system before and after the equivalence, this equivalent method is proved to be correct.
基金Supported by the Postgraduate Foundation of Taishan University (No. Y07-2-16)
文摘The title compound [2-(2,6-dioxacyclohexyl)-5-methoxylphenols]2 was synthesized by the reaction of 2-hydroxyl-3-methoxylbenzaldehyde and 1,3-propanediol in the presence of DMF-DMS adduct and characterized by IR spectrum, UV-Vis spectrum and X-ray crystallography. The title compound belongs to monoclinic, space group P21 with a = 9.8967(10), b = 8.2240(9), c = 13.3654(14) A^°, β= 90.016(2)°, C11H14O4, Mr = 210.22, V = 1087.8(2)A^°3, Z = 4, Dc = 1.284 Mg/m^3, F(000) = 448,μ = 0.098 mm^-1, the final R = 0.0300 and wR = 0.0761 for 2070 observed reflections with I 〉 2σ(I). The molecules are connected via intermolecular O-H…O hydrogen bonds into a 2D network structure. Moreover, theoretical investigations of the title compound with HF/6-31G(d) method were performed, and its stability, frontier molecular orbital composition and Mulliken charge distribution were also discussed. The compound is a bis-molecule. The two molecules stay together and could not be separated. Two crystallographically independent molecules exist in an asymmetric unit. The bond lengths and bond angles of the two molecules are slightly different with each other.
文摘We have prepared the 2-(quinolin-8-yloxy)-acetic acid and characterized it by infrared and Raman spectroscopies in the solid phase. The Density Functional Theory (DFT) method, together with the 6-31G^* and 6-311++ G^** basis sets, show that three stable molecules, for the anhydrous and monohydrated compounds were theoretically determined in the gas phase, and that probably the two more stable conformations are present in the solid phase of the monohydrated compound. The harmonic vibrational wavenumbers for the optimized geometries were calculated at B3LYP/6-31G^*and B3LYP/6-311++G^** levels. For a complete assignment of all the observed bands in the vibrational spectra the DFT calculations were combined with Pulay's scaled quantum mechanical force field (SQMFF) methodology in order to fit the theoretical Wavenumber values to the experimental ones. The characteristics of the electronic delocalization of all structures of both forms were performed by using natural bond orbital (NBO), while the corresponding topological properties of electronic charge density are analysed by employing Bader's atoms in molecules theory (AIM).
基金supported by the National Basic Research Program of China(No.2014CB643401)the National Natural Science Foundation of China(Nos.51134007 and 51474256)
文摘A novel copper(Ⅱ) complex with tert-butyl 2-[N-(tert-butyloxycarbonylmethyl)-2-picolyamino]acetate(ampy) was synthesized and structurally characterized by elemental analysis, FT-IR spectrum, electrospray ionization-mass spectrometry, UV-vis spectrum and single-crystal X-ray diffraction, respectively. A mononuclear copper(II) complex with ampy, [Cu(ampy)Cl2](1), was formed irrespective of the metal-to-ligand molar ratios([Cu2+]:[ampy] = 0.5:1, 1:1, and 2:1) as a single product. Complex 1 crystallizes in the orthorhombic system, space group Pbca with a = 12.343(2), b = 18.928(3), c = 20.058(4) A, V = 4686.1(14) A3, Z = 8, Dc = 1.3349(4) g/cm3, F(000) = 1920, S = 1.016, R = 0.0693 and w R = 0.1721 for 3151 observed reflections with I 〉 2σ(I). X-ray diffraction analysis reveals that the central copper(II) ion is bound by pyridyl N, tertiary amine N and carbonyl O atoms of the quadridentate ampy as well as two Cl anions, constructing a slightly distorted octahedral geometry. Complex 1 further constructs a stable 3D supramolecular architecture by intermolecular C–H…Cl hydrogen bonds. In addition, the molecular geometry was calculated by density functional theory(DFT/B3LYP) method with the basis sets(6-31+G(d,p) for H, C, N, O and Cl atoms, and LANL2 DZ for Cu atom, respectively). The calculated results show that the optimized geometrical parameters are in good agreement with the experimental data. Natural bond orbital(NBO) analysis and frontier molecular orbitals(FMOs) analysis were investigated at the same level.
文摘Abstract In this study, the proton and neutron densities, charge densities, rms nuclear charge radii, rms nuclear mass radii, rms nuclear proton, neutron radii, and neutron skin thickness are calculated by using Harfree-Fock method with an effective nucleon-nucleon Skyrme interactions with SⅠ, SⅡ, SⅣ, T3, SKM, and SKM^* parameters. These nuclear properties for the neutron-rich isotopes of B (Boron) are presented. The calculated results are compared with the experimental and theoretical results of other researchers.
文摘Applying calculation method in alloy design should be an important tendency due to its characters of inexpensive cost, high efficiency and prediction. DOS calculations of AuSn, AsSn and SbSn Sn- based alloys have been investigated by employing DV - Xa method, in which different cluster models were adopted to calculate electron structure.It is proved that some regulations must be taken into ac- count in order to carry out alloy design calculation successfully,which are described in this paper in detail.
文摘The title compound was synthesized by the base catalyzed reaction of 5-((quinolin- 8-yloxy)methyl)-1,3,4-oxadiazole-2(3H)-thione with methyl chloroacetate. The structure was supported by the spectroscopic data and unambiguously confirmed by single-crystal X-ray diffraction studies. It crystallizes from a methanol solution in the triclinic space group Pi with unit cell dimensions a = 7.4509(9), b = 10.2389(12), c = 12.2299(15)A, a = 74.771(2), β = 77.956(2), 7 = 69.263(2)°, V = 834.98(17) A3 and Z = 2. In order to gain some valuable insights into the molecular structure, the quantum mechanical calculations were performed using both HF and time-dependent density functional theory at the B3LYP/6-31G(d,p) level. The molecular geometry from X-ray determination of the title compound in the ground state has been compared using the Hartree-Fock (HF) and density functional theory (DFT) with the 6-31G(d) basis set. The calculated results show that the DFT and HF can well reproduce the structure of the title compound. The energetic behavior of the title compound was examined using the B3LYP method with the 6-31G(d) basis set. The harmonic vibrational frequencies calculated have been compared with the experimental FTIR and FT-Raman spectra. The restricted Hartree-Fock and density functional theory-based nuclear magnetic resonance (NMR) calculation procedure was also performed, and it was used for assigning the 13C and 1H NMR chemical shifts of the title compound. Moreover, molecular electrostatic potential and thermodynamic parameters of the title compound were investigated by theoretical calculations.
基金Supported by the National High-Technology Research and Development Program of China under Grant No 2011AA010203the National Basic Research Program of China under Grant Nos 2011CB201704 and 2010CB327502the National Natural Science Foundation of China under Grant Nos 61434006 and 61106074
文摘A 330-500 GHz zero-biased broadband monolithic integrated tripler is reported. The measured results show that the maximum efficiency and the maximum output power are 2% and 194μW at 348 GHz. The saturation characteristic test shows that the output i dB compression point is about -8.5 dBm at 334 GHz and the maximum efficiency is obtained at the point, which is slightly below the 1 dB compression point. Compared with the conventional hybrid integrated circuit, a major advantage of the monolithic integrated circuit is the significant improvement of reliability and consistency. In this work, a terahertz monolithic frequency multiplier at this band is designed and fabricated.
文摘In recent years,several failures of double circuit transmission line on the same tower due to lightning were happened in Beijing power grid.Although it can be reclosed successful,the lightning strike caused a grave threat to the power grid security.The cause of the accident and the accident process were studied for the sake of further understanding of the impact of lightning on power grid.As an example,110 kV double circuit transmission line(Xilong-line) was analyzed.At first,the system topology was given.Through the analysis on relay protection actions and the fault recorder data,over voltage on the insulator strings was calculated.Based on the analysis and the calculation,accident cause and the process were presented respectively.Secondly,it comes to the conclusion that the lightning failure was caused by counterattack.The wave of the lightning over voltage would spread to the not grounded neutral point of the transformers,and make the neutral protective gap breakdown,then cause freewheeling with the frequency of 50 Hz.As results of the relay protection,the double circuit transmission line all tripped out.Finally,the causes of the accident were proposed that included terrain features,large corner towers,strong thunderstorm weather and poor grounded contact of the tower.
文摘Thermal manikin plays important roles in simulating thethermal state of human bodies to facilitate the evaluationof thermal comfort properties of various clothing assem-blies.Based on the heat balance principle and analysis ofrelated factors,the heat production rate of manikin isrecommended as an efficient evaluation index.Whereas,its inside heat production which occurs as a result of theexistence of temperature difference between its insidepart and outside surface,should not be ignored.Through a series of theoretical analysis and calculations,a compensative equation is deduced in this paper.