Hydrogen Purification Performance of Pressure Swing Adsorption Based on Cu-BTC/zeolite 5A Layered Bed

A pressure swing adsorption (PSA) hydrogen purification model for the four-component gas (H_(2)/CO_(2)/CH_(4)/CO=73/16/8/3 mol%) in a layered bed packed with Cu-BTC and zeolite 5A was established to achieve better hydrogen purification performance.By comparing its simulation results with the experimental data,the adsorption isotherm model was validated and could be used to accurately describe the adsorption process of the gas mixture on the two adsorbents.The breakthrough curves of the mixed gas on the layered bed were studied to verify the correctness of the established simulation models.Based on the validated model,the performance of the PSA system based on the layered bed was carried out,including the hydrogen purity and recovery.The simulation results show that the hydrogen purification system based on the layered bed model can achieve hydrogen purity of 95.469% and hydrogen recovery of 83.219%.Moreover,a parametric study was carried out and its results show that reductions in feed flow rate and adsorption time result in an increase in hydrogen purity and a decrease in hydrogen recovery.A longer equalization time between the two adsorption beds can simultaneously increase the hydrogen purity and recovery.

A combined multiscale modeling and experimental study on surface modification of high-volume micro-nanoparticles with atomic accuracy

Surface modification for micro-nanoparticles at the atomic and close-to-atomic scales is of great importance to enhance their performance in various applications,including high-volume battery,persistent luminescence,etc.Fluidized bed atomic layer deposition(FB-ALD)is a promising atomic-scale manufacturing technology that offers ultrathin films on large amounts of particulate materials.Nevertheless,nanoparticles tend to agglomerate due to the strong cohesive forces,which is much unfavorable to the film conformality and also hinders their real applications.In this paper,the particle fluidization process in an ultrasonic vibration-assisted FB-ALD reactor is numerically investigated from micro-scale to macro-scale through the multiscale computational fluid dynamics and discrete element method(CFD-DEM)modeling with experimental verification.Various vibration amplitudes and frequencies are investigated in terms of their effects on the fluid dynamics,distribution of particle velocity and solid volume fraction,as well as the size of agglomerates.Results show that the fluid turbulent kinetic energy,which is the key power source for the particles to obtain the kinetic energy for overcoming the interparticle agglomeration forces,can be strengthened obviously by the ultrasonic vibration.Besides,the application of ultrasonic vibration is found to reduce the mean agglomerate size in the FB.This is bound to facilitate the heat transfer and precursor diffusion in the entire FB-ALD reactor and the agglomerates,which can largely shorten the coating time and improve the film conformality as well as precursor utilization.The simulation results also agree well with our battery experimental results,verifying the validity of the multiscale CFD-DEM model.This work has provided momentous guidance to the mass manufacturing of atomic-scale particle coating from lab-scale to industrial applications.

Numerical simulation of pollution process due to resuspension of bed materials adsorbing pollutants in alluvial rivers

Resuspension of bed materials absorbing pollutants potentially poses unpredictable challenges to water management in alluvial rivers and its mechanism of transport has not been widely recognized.In this study,a transport equation that defines the movement of pollutants adsorbed on the bed materials in the active bed layer is established,on the basis of mass conservation law and continuum theory.The transport equation is coupled into the 1-D mathematical model to numerically investigate water pollution process due to the scour of the bed sediment adsorbing pollutants.Comparisons with the situation in which the dynamics of the active bed layer is not considered indicate that the periodical evolution of the bed layer plays an innegligible role in the pollution process due to sediment re-suspension.Furthermore,comparisons of the results with available experimental observations are presented,and fairly good agreement is obtained.