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A New Method for Predicting Erosion Damage of Suddenly Contracted Pipe Impacted by Particle Cluster via CFD-DEM.

ABSTRACT: A numerical study on the erosion of particle clusters in an abrupt pipe was conducted by means of the combined computational fluid dynamics (CFD) and discrete element methods (DEM). Furthermore, a particle-wall extrusion model and a criterion for judging particle collision interference were developed to classify and calculate the erosion rate caused by different interparticle collision mechanisms in a cluster. Meanwhile, a full-scale pipe flow experiment was conducted to confirm the effect of a particle cluster on the erosion rate and to verify the calculated results. The reducing wall was made of super 13Cr stainless steel materials and the round ceramsite as an impact particle was 0.65 mm in diameter and 1850 kg/m³ in density. The results included an erosion depth, particle-wall contact parameters, and a velocity decay rate of colliding particles along the radial direction at the target surface. Subsequently, the effect of interparticle collision mechanisms on particle cluster erosion was discussed. The calculated results demonstrate that collision interference between particles during one cluster impact was more likely to appear on the surface with large particle impact angles. This collision process between the rebounded particles and the following particles not only consumed the kinetic energy but also changed the impact angle of the following particles.

SUBMITTER: Cheng J

PROVIDER: S-EPMC6213384 | biostudies-other | 2018 Sep

REPOSITORIES: biostudies-other

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A New Method for Predicting Erosion Damage of Suddenly Contracted Pipe Impacted by Particle Cluster via CFD-DEM.

Cheng Jiarui J Dou Yihua Y Zhang Ningsheng N Li Zhen Z Wang Zhiguo Z

Materials (Basel, Switzerland) 20180928 10

A numerical study on the erosion of particle clusters in an abrupt pipe was conducted by means of the combined computational fluid dynamics (CFD) and discrete element methods (DEM). Furthermore, a particle-wall extrusion model and a criterion for judging particle collision interference were developed to classify and calculate the erosion rate caused by different interparticle collision mechanisms in a cluster. Meanwhile, a full-scale pipe flow experiment was conducted to confirm the effect of a ...[more]

PMID: 30274228

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Project description:An efficient implementation of the density-fitted equation-of-motion coupled-cluster singles and doubles (DF-EOM-CCSD) method is presented with an enhanced algorithm for the particle-particle ladder (PPL) term, which is the most expensive part of EOM-CCSD computations. To further improve the evaluation of the PPL term, a hybrid density-fitting/Cholesky decomposition (DF/CD) algorithm is also introduced. In the hybrid DF/CD approach, four virtual index integrals are constructed on-the-fly from the DF factors; then, their partial Cholesky decomposition is simultaneously performed. The computational cost of the DF-EOM-CCSD method for excitation energies is compared with that of the resolution of the identity EOM-CCSD (RI-EOM-CCSD) (from the Q-chem 5.3 package). Our results demonstrate that DF-EOM-CCSD excitation energies are significantly accelerated compared to RI-EOM-CCSD. There is more than a 2-fold reduction for the C8H18 molecule in the cc-pVTZ basis set with the restricted Hartree-Fock (RHF) reference. This cost savings results from the efficient evaluation of the PPL term. In the RHF based DF-EOM-CCSD method, the number of flops (NOF) is 1/4O2V4, while that of RI-EOM-CCSD was reported (Epifanovsky et al. J. Chem. Phys. 2013, 139, 134105) to be 5/8O2V4 for the PPL contraction term. Further, the NOF of VVVV-type integral transformation is 1/2V4Naux in our case, while it appears to be V4Naux for RI-EOM-CCSD. Hence, our implementation is 2.5 and 2.0 times more efficient compared to RI-EOM-CCSD for these expensive terms. For the unrestricted Hartree-Fock (UHF) reference, our implementation maintains its enhanced performance and provides a 1.8-fold reduction in the computational time compared to RI-EOM-CCSD for the C7H16 molecule. Our results indicate that our DF-EOM-CCSD implementation is 1.7 and 1.4 times more efficient compared with RI-EOM-CCSD for average computational cost per EOM-CCSD iteration. Moreover, our results show that the new hybrid DF/CD approach improves upon the DF algorithm, especially for large molecular systems. Overall, we conclude that the new hybrid DF/CD PPL algorithm is very promising for large-sized chemical systems.

Dataset Information

A New Method for Predicting Erosion Damage of Suddenly Contracted Pipe Impacted by Particle Cluster via CFD-DEM.

Publications

A New Method for Predicting Erosion Damage of Suddenly Contracted Pipe Impacted by Particle Cluster via CFD-DEM.

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