281—332nm SO+2的光碎片激发谱研究

在超声分子束条件下，利用380.85nm的电离激光使SO₂分子经由［３＋１］共 振增强多光 子电离(REMPI)制备纯净的分子离子SO⁺₂(²A ₁(000))，用另一束解离激光在281 —332nm扫描获得了光解碎片激发(PHOFEX)谱.获得的光碎片SO⁺激发谱基本可以 归属为SO ⁺₂(,)←SO⁺关键词： +₂')" href="#">SO⁺₂ 光解离 光碎片激发谱     

Ground states of the hydrogen molecule and its molecular ion in the presence of a magnetic field using the variational Monte Carlo method

ABSTRACT

By using the variational Monte Carlo (VMC) method, we calculated the 1sσ_g-state energies, the dissociation energies, and the binding energies of the hydrogen molecule and its molecular ion in the presence of an aligned magnetic field regime between 0 and 10?a.u. The present calculations are based on using two types of compact and accurate trial wave functions, which are put forward for consideration in calculating energies in the absence of a magnetic field. The obtained results are compared with the most recent accurate values. We conclude that the applications of the VMC method can be successfully extended to cover the case of molecules under the effect of a magnetic field.     

Prompt neutron emission spectra and multiplicities in the thermal neutron induced fission of235U

The emission spectra of prompt fission neutrons from mass and kinetic energy selected fission fragments have been measured in²³⁵U(n _th,f). Neutron energies were determined from the measurement of the neutron time of flight using a NE213 scintillation detector. The fragment energies were measured by a pair of surface barrier detectors in one set of measurements and by a back-to-back gridded ionization chamber in the second set of measurements. The data were analysed event by event to deduce neutron energy in the rest frame of the emitting fragment for the determination of neutron emission spectra and multiplicities as a function of the fragment mass and total kinetic energy. The results are compared with statistical model calculations using shell and excitation energy dependent level density formulations to deduce the level density parameters of the neutron rich fragment nuclei over a large range of fragment masses.     

Experimental Study of the Influence of Different Load Changes in Inlet Gas and Solvent Flow Rate on CO2 Absorption in a Sieve Tray Column

An experimental study was conducted in a sieve tray column. This study used a simulated flue gas consisting of 30% CO₂ and 70%. A 10% mass fraction of methyl diethanolamine (MDEA) aqueous solution was used as a solvent. Three ramp-up tests were performed to investigate the effect of different load changes in inlet gas and solvent flow rate on CO₂ absorption. The rate of change in gas flow rate was 0.1 Nm³/h/s, and the rate of change in MDEA aqueous solution was about 0.7 NL/h/s. It was found that different load changes in inlet gas and solvent flow rate significantly affect the CO₂ volume fraction at the outlet during the transient state. The CO₂ volume fraction reaches a peak value during the transient state. The effect of different load changes in inlet gas and solvent flow rate on the hydrodynamic properties of the sieve tray were also investigated. The authors studied the correlation between the performance of the absorber column for CO₂ capture during the transient state and the hydrodynamic properties of the sieve tray. In addition, this paper presents an experimental investigation of the bubble-liquid interaction as a contributor to entropy generation on a sieve tray in the absorption column used for CO₂ absorption during the transient state of different load changes.     

Tetragonal distortions of the octahedral environments of Cr3+, Fe3+ and Gd3+ ions in A2CdF4 (A = Rb,Cs) and ACdF3 crystals

Abstract

The tetragonal distortions of local octahedral environments of Cr³⁺, Fe³⁺ and Gd³⁺ ions in Rb₂CdF₄, Cs₂CdF₄, RbCdF₃ and CsCdF₃ crystals have been studied by analyzing their EPR spectra. From the studies, it is found that the tetragonal distortions for Cr³⁺ and Fe³⁺ impurity ions, which substitute Cd²⁺ and have nearly the same ionic radius, are close to each other, whereas that for Gd³⁺ impurity ion, having a larger ionic radius, is larger than those for Cr³⁺ and Fe³⁺ ions in the same crystal. It appears that not only the impurity-ligand distance, but also the tetragonal distortions of impurity centres in crystals are closely related to the size of impurity.     

Theoretical investigations on the spin Hamiltonian parameters and local structures for the trigonal Ni2+ centers in CsMgX3 (X=Cl,Br, I)

The spin Hamiltonian parameters (zero-field splitting and the anisotropic g factors) and the local structures for the trigonal Ni²⁺ centers in CsMgX₃ (X=Cl, Br, I) are theoretically investigated from the perturbation formulas of these parameters for a 3d⁸ ion in trigonally distorted octahedra, by including the ligand s-orbital contributions. Based on the studies, the local impurity-ligand bond angles β related to the C ₃ axis in the Ni²⁺ centers are found to be about 2° larger than the corresponding angles, β_H, in the hosts, due to the size mismatching substitution of Mg²⁺ by Ni²⁺. The theoretical results based on the inclusion of the ligand s-orbital contributions show an improvement when compared with those in the absence of the above contributions, especially for the ligand I^?.     

Theoretical investigation of the optical spectra and local lattice structure for Mn5+ in a Sr10(VO4)6F2 crystal

In this paper, the relationships between the optical spectra and local lattice structure for Mn⁵⁺ in a Sr₁₀(VO₄)₆F₂ crystal are established by the crystal- and ligand-field theory. The effect of spin–orbital coupling between the central 3d² ions and ligand ions has been considered in the full energy matrix. Using the matrix and superposition model formula, we have calculated the optical spectra and local lattice structure parameters of Mn⁵⁺ in Sr₁₀(VO₄)₆F₂ with a C_3v system. The calculated results are in good agreement with the observed values. In addition, the trigonal compressed distortions of the (MnO₄)^3? centers in Sr₁₀(VO₄)₆F₂ crystals are also obtained from the calculations.     

Comparative Study of the Thermal and Hydraulic Performance of Supercritical CO2 and Water in Microchannels Based on Entropy Generation

The excellent thermophysical properties of supercritical CO₂ (sCO₂) close to the pseudocritical point make it possible to replace water as the coolant of microchannels in application of a high heat flux radiator. The computational fluid dynamics (CFD) method verified by experimental data is used to make a comparison of the thermal hydraulic behavior in CO₂-cooled and of water-cooled microchannels. The operation conditions of the CO₂-based cooling cases cover the pseudocritical point (with the inlet temperature range of 306~320 K and the working pressure of 8 MPa), and the water-based cooling case has an inlet temperature of 308 K at the working pressure of 0.1 MPa. The channel types include the straight and zigzag microchannels with 90°, 120°, and 150° bending angles, respectively. The analysis result shows that, only when the state of CO₂ is close to the pseudocritical point, the sCO₂-cooled microchannel is of a higher average heat convection coefficient and a lower average temperature of the heated surface compared to the water-cooled microchannel. The entropy generation rate of the sCO₂-cooled microchannel can reach 0.58~0.69 times that of the entropy generation rate for the water-cooled microchannel. Adopting the zigzag structure can enhance the heat transfer, but it does not improve the comprehensive performance represented by the entropy generation rate in the sCO₂-cooled microchannel.     

Topology of the space of periodic ground states in the antiferromagnetic Ising and Potts models in selected spatial structures

Topology of the space of periodic ground states in the antiferromagnetic Ising and Potts (3-state) models is analysed in selected spatial structures. The states are treated as graph nodes, connected by one-spin-flip transitions. The spatial structures are the triangular lattice, the Archimedean (3,¹²²) lattice and the cubic Laves C15 lattice with the periodic boundary conditions. In most cases the ground states are isolated nodes, but for selected systems we obtain connected graphs. The latter means that the magnetisation can vary in time with zero energy cost. The ground states are classified according to their degree and type of neighbours.