*** Noble metal nanocrystals serve as exceptional catalysts across a wide spectrum of industrial processes[1].Moreover,there exists a substantial demand for noble metal catalysts in emerging clean-energy applications,...
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*** Noble metal nanocrystals serve as exceptional catalysts across a wide spectrum of industrial processes[1].Moreover,there exists a substantial demand for noble metal catalysts in emerging clean-energy applications,such as water-splitting hydrogen production and fuel *** non-noble transition metals or main-group metals into noble metal nanocrystals can reduce the weight of noble metals in the catalysts,thus remarkably lowering the ***,alloy nanocrystals offer intriguing catalytic properties that surpass those of their monometallic counterparts,thanks to the charge transfer between the constituent components and the expansion or shrinkage of the lattice size[2].
Machine learning combined with density functional theory(DFT)enables rapid exploration of catalyst descriptors space such as adsorption energy,facilitating rapid and effective catalyst ***,there is still a lack of mod...
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Machine learning combined with density functional theory(DFT)enables rapid exploration of catalyst descriptors space such as adsorption energy,facilitating rapid and effective catalyst ***,there is still a lack of models for predicting adsorption energies on oxides,due to the complexity of elemental species and the ambiguous coordination *** work proposes an active learning workflow(LeNN)founded on local electronic transfer features(e)and the principle of coordinate rotation *** accurately characterizing the electron transfer to adsorption site atoms and their surrounding geometric structures,LeNN mitigates abrupt feature changes due to different element types and clarifies coordination *** a result,it enables the prediction of^(*)H adsorption energy on binary oxide surfaces with a mean absolute error(MAE)below 0.18 ***,we incorporate local coverage(θ_(l))and leverage neutral network ensemble to establish an active learning workflow,attaining a prediction MAE below 0.2 eV for 5419 multi-^(*)H adsorption *** findings validate the universality and capability of the proposed features in predicting^(*)H adsorption energy on binary oxide surfaces.
Elbow wear, which is most likely occurring in pneumatic conveying, becomes a key factor in development of pneumatic conveying. This paper used 3D DEM-CFD to simulate the elbow wear in pneumatic conveying system. Simul...
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In order to achieve uniform mixing between spray droplets and crossflow, cold-model experiment of a hollow-cone water spray in an air crossflow is investigated via a numerical simulation. The simulation cases are desi...
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In order to achieve uniform mixing between spray droplets and crossflow, cold-model experiment of a hollow-cone water spray in an air crossflow is investigated via a numerical simulation. The simulation cases are designed by using the orthogonal design method. The Eulerian-Lagrangian formulation is employed for modeling the droplets-crossflow two-phase flow while the realizable k-ε turbulence model is used to describe the turbulence. A new index, mixedness quality, is proposed to assess the overall mixing of the droplets in the crossflow. The simulation results demonstrate that the counter-rotating vortex pair (CVP) imposes a more significant impact on the spatial distribution than on the size distribution of the droplets. Pairs of CVP with smaller scales are preferable for achieving a better mixing. The influencing factors are listed in the following order in terms of the degree of their impact from the greatest to the least: the Sauter diameter of the initial droplets, the mixing tube diameter, the spray angle, the velocity of the inlet crossflow, and the vertical velocity of the initial droplets. A moderate droplet diameter, a smaller tube diameter, a moderate spray angle, a greater crossflow velocity and a moderate vertical velocity of the droplet are favorable for achieving a higher mixedness quality of the jet spray in a confined crossflow.
The continuous growth of CO2 emissions is one of the global problems facing humanity, and how to convert and exploit the stock of CO2 has become an urgent issue. Biomass as an activity of CO2 thermal reduction medium ...
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To study the water walls' safety problems of the opposed firing boiler, thermal experiments for four typical arrangements of burners conditions are run in a laboratory-scale boiler. The four working conditions inc...
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Plunger lift is an economical artificial lift method to solve the liquid loading problem in gas wells. Because of the inevitable annular gap between plunger and tube wall, the liquid above plunger may leak downward an...
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In this paper an edge detection algorithm based on wavelet transform with Gaussian filter was proposed. In this algorithm original images are firstly converted into gray images and then each pixel was analyzed using w...
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Gas is a clean energy resource in comparison with oil and coal. Liquid-loading problem is frequently encountered in the process of gas production. It would directly cause the production of gas wells decreasing, even o...
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