Close-coupled nozzle atomization integral simulation and powder preparation using vacuum induction gas atomization technology

We simulate the gas-atomization process of a close-coupled annular nozzle for vacuum induction gas atomization at a three-dimensional scale.Moreover,the relationship between the simulated droplet type and experimentally metallic powder is established by comparing the morphology of droplets with powders.Herein,the primary atomization process is described by the volume-of-fluid(VOF)approach,whereas the prediction of powder diameter after secondary atomization is realized by the VOF-Lagrangian method.In addition,to completely reflect the breaking and deformation process of the metallic flow,we employ the VOF model to simulate the secondary atomization process of a single ellipsoidal droplet.The results show that the primary atomization process includes the formation of surface liquid film,appearance of serrated ligaments,and shredding of ligaments.Further,gas recirculation zone plays an important role in formation of the umbrella-shaped liquid film.The secondary atomization process is divided into droplet convergence and dispersion stages,and the predicted powder diameter is basically consistent with the experiment.In general,the four main powder shapes are formed by the interaction of five different typical droplets.

Ammonia storage and slip under steady and transient state in close-coupled SCR

The close-coupled selective catalytic reduction(cc-SCR)catalyst is an effective technology to reduce tailpipe NOx emission during cold start.This paper investigated the optimal ammonia storage under steady and transient state in the cc-SCR.The study showed that a trade-off between NOx conversion efficiency and ammonia slip is observed on the pareto solutions under steady state,and the optimal ammonia storage is calculated with ammonia slip less than 10μL/L based on the ChinaⅥemission legislation.The rapid temperature increase will lead to severe ammonia slip in the transient test cycle.A simplified 0-D calculation method on ammonia slip under transient state is proposed based on kinetic model of ammonia adsorption and desorption.In addition,the effect of ammonia storage,catalyst temperature and temperature increasing rate on ammonia slip are analyzed.The optimal ammonia storage is calculated with maximum ammonia slip less than 100μL/L according to the oxidation efficiency of ammonia slip catalyst(ASC)downstream cc-SCR.It was found that the optimal ammonia storage under transient state is much lower than that under steady state in cc-SCR at lower temperature,and a phase diagram is established to analyze the influence of temperature and temperature increasing rate on optimal ammonia storage.

Partial wave scattering cross sections for He-HBr collision

A new anisotropic potential is fitted to ab initio data. The close-coupling approach is utilized to calculate state-tostate rotational excitation partial wave cross sections for elastic and inelastic collisions of He atom with HBr molecule based on the fitted potential. The calculation is performed separately at the incident energies： 75, 100 and 200 meV.The tendency of the elastic and inelastic rotational excitation partial wave cross sections varying with total angular quantum number J is obtained.

Theoretical calculation of the partial cross section for first vibrational excitation in He-H2（D2,T2） collisions

In this paper, close-coupling method was applied to the He-H2 （D2,T2） system, and the first vibrational excitation cross sections of ＇00-10, 00-12, 00-14, 00-16＇ at different incident energy have been calculated. By analyzing the ditferences of these partial wave cross sections, this paper have obtained the change rules of the partial wave cross sections with increases of quantum number, and with change of reduced mass of system. Based on the calculation, influence on the partial wave cross sections brought by the variations in the reduced mass of systems and in the relative kinetic energy of incident atoms is discussed.

Dynamics of N^(5+)-H electron capture in Debye plasmas

The electron capture in N^(5+)-H collisions imbedded in a Debye plasma is studied by using the two-center atomic orbital close-coupling method in the energy range from 1 keV/u to 200 keV/u.The atomic orbitals and electron binding energies of atomic states are calculated within the Debye-Huckel approximation of the screened Coulomb potential and used in atomic orbital close-coupling dynamics formalism to calculate the electron capture cross sections.The electron capture cross sections and the charge transfer spectral lines of N^(4+)(1s^(2)nl)for a number of representative screening parameter values are presented and discussed.It is found that the screening of Coulomb interactions affects the entire collision dynamics and the magnitude and energy behavior of state-selective cross sections.The changes in electron binding energies and capture cross sections when the interaction screening varies introduce dramatic changes in the radiation spectrum of N^(4+)(1s^(2)nl)capture states with respect to the unscreened interaction case.

The effect of the attractive well of the potential energy surface for Ne-HC1 on rotationally inelastic partial wave cross sections

An interaction potential of the Ne-HC1 van der Waals complex is obtained by utilizing the Huxley analytic potential function to fit the accurate interaction energy data, which have been computed at the coupled cluster singles and doubles including connected triple excitations level and with the augmented correlation consistent polarized valence quintuple zeta basis set extended with a set of 3s3p2dlflg mid-bond functions [CCSD （T）/aug-cc-pV5Z-33211]. The close coupling calculation of state-to-state partial cross sections for collision of Ne with HC1 is first performed by employing the fitted interaction potential. This calculation is performed at the incident energies： 40, 60, 75 and 100 meV, separately. The effects of the long-range attractive and the short-range anisotropic interactions on the inelastic state-to-state partial cross sections are discussed in detail. Two maxima are present in the rotationally inelastic partial cross sections and they originate from different mechanisms.

Elastic cross sections for electron-carbon scattering

We used the close-coupling optical （CCO） approach to investigate the open-shell carbon atom. The elastic cross sections have been presented at the energies below 90eV, and the present CCO results have been compared with other theoretical results. We found that polarization and the continuum states have significant contributions to the elastic cross sections. The present calculations show that the CCO method is capable of calculating electron scattering from open-shell atoms.

Electron excitation processes in low energy collisions of hydrogen-helium atoms

The electron excitation processes of H(1s)+He(1s^(2))→H(2s/2p)+He(1s^(2))are studied in impact energy range of 20-2000 e V/u by using the quantum-mechanical molecular orbital close-coupling(QMOCC)method.Total and state-selective cross sections have been obtained and compared with the available theoretical and experimental results.The results agree well with available measurements in the overlapping energy regions overall.The comparison of our results with other theoretical calculations further demonstrates the importance of considering a sufficient number of channels.The datasets presented in this paper,including the excitation cross sections,are openly available at https://www.doi.org/10.57760/sciencedb.j00113.00083.

Ionization and single electron capture in collision of highly charged Ar^(16+) ions with helium

This paper uses the two-centre atomic orbital close-coupling method to study the ionization and the single electron capture in collision of highly charged Ar^16＋ ions with He atoms in the velocity range of 1.2-1.9 a.u.. The relative importance of single ionization （SI） to single capture （SC） is explored. The comparison between the calculation and experimental data shows that the SI/SC cross section ratios from this work are in good agreement with experimental data. The total single electron ionization cross sections and the total single electron capture cross sections are also given for this collision. The investigation of the partial electron capture cross section shows a general tendency of capture to larger n and l with increasing velocity from 1.2 to 1.9 a.u..

Single electron capture in collisions of N^(q+)(q=5,6,7)ions with helium

Close-coupling calculations are carried out for cross sections of the single electron capture in collisions of N^q＋（q = 5, 6, 7） ions with helium atoms in the collision velocity range from 0.3 a.u. to 1.8 a.u. The relative importances of the single ionization （SI） to the single capture （SC） are investigated for the N^q＋ （q= 5, 6, 7） projectiles, respectively. The SI/SC cross section ratio for the N7＋ projectile obtained from our calculations is in excellent agreement with the experimental data. The ratio curves also show us distinct behaviours when the charge of the projectile is different. The partial electron capture cross sections for different projectiles indicate that the electron on the target He atom tends to be captured by the projectile into its lower orbital of the outer shell with the decreasing projectile charge.

Effect of high temperature pretreatment on the thermal resistance properties of Pd/CeO2/Al2O3 close-coupled catalysts

Fresh Pd/CeO/AlOclose coupled catalyst was prepared by the stepwise impregnation method and calcined at 550 °C for 3 h, which was then pretreated at 700, 800, and 900 °C for 3 h, respectively. Finally, these pretreated catalysts were aged at 1000 °C for 3 h to study their anti-aging properties. The catalytic activities of the catalysts were investigated detailedly, and the results showed that the catalyst pretreated at 800 °C before aging treatment possessed the best anti-aging performance for CHoxidation. XRD and XPS results indicated that well-crystallized CeOparticles were formed during calcinations at 800 °C, which made CeOan effective promoter. HRTEM revealed that Pd particles found on the edge of CeOover the aged catalyst pretreated at 800 °C were relatively smaller than those over the catalysts without pretreatment. H-TPR and XPS results also implied that the interaction between well-crystallized CeOand Pd suppressed the deactivation of PdO sites and further enhanced the catalytic performance.