Considering solid shear stress in MP-PIC simulation of a CFB riser

To enable successful multi-phase particle-in-cell(MP-PIC)simulations of circulating fluidized beds(CFBs),both the interphase drag force and interparticle collisions need to be carefully modeled.Particle collisions are usually represented by the solid stress consisting of the normal and shear components,in which the normal stress was found to have a leading role in the numerical stability of MP-PIC simulations,whereas the impact of the shear stress has seldom been reported.In this work,the effects of the solid shear stress are investigated by using two-dimensional simulations of the moderately dense laboratory-scale CFB riser with in-house MP-PIC code implemented on MFIX open-source platform.Cases including only normal solid stress and those considering both normal and shear solid stresses are simulated.The results of solids flux,axial and radial solids profiles are compared with available experimental data.The results show that the solid shear stress plays a minor role on the accuracy of simulation,and the increase of PPP(number particles per parcel)leads to a lower accuracy of simulation.

Elucidating elusive quaternary selenide EuCeCuSe3:Synthesis,crystal structure,properties and theoretical studies

We report on the novel heterometallic quaternary selenide EuCeCuSe3,the fabrication of which has been a challenge until this work.The structure of the reported selenide was elucidated from the powder X-ray diffraction data,which revealed the formation of EuCeCuSe3with excellent yield(96.7%)accompanied with a minor fraction of CeSe2(3.3%),and was best solved in orthorhombic space group Pnma with the BaLaCuS3structural type.Thus,the crystal structure of the title compound completes the row of the heterometallic quaternary selenides EuRECuSe3(RE=La,Pr,Nd,Sm,Eu,Gd,Tb,Dy,Ho,Er,Tm,Yb,Lu,Y),of which the cerium-based derivative exclusively belongs to the BaLaCuS3structural type.The distortion of the CuSe4polyhedron was compared for the whole series of EuRECuSe3compounds using theτ4-descriptor for four coordinated ions,which revealed the highest degree of distortion for the Ce3+-containing selenide,followed by the La3+-based derivative.Furthermore,the crystallographic and geometrical parameters of the reported selenide were discussed in comparison to the Ce3+-based sulfides SrCeCuS3and EuCeCuS3.Ab initio calculations of the crystal structure,a phonon spectrum and elastic constants for the crystal of EuCeCuSe3were also performed.The types and wavenumbers of fundame ntal modes were determined and the involvement of ions participating in the phonon modes was assessed.The experimental IR spectrum of the reported selenide was interpreted and found to be in agreement with the calculated spectrum.The experimental direct band gap of EuCeCuSe3was measured to be 1.36 eV that is consistent with the concept of its origin due to interband transitions between orbitals emerging mainly from 4f(valence band)and 5d(conduction band)levels of the Eu2+cation.The dependence of the Young’s modulus on the direction demonstrates the anisotropy of the elastic properties,while the Vickers hardness for EuCeCuSe3was calculated to be 5.2 GPa.Finally,the title compound is paramagnetic above 4 K.