{"title":"Filtered reaction rate and interphase mass transfer models in reactive gas-solid flows","authors":"Zheqing Huang, Zheng Zhang, Lingxue Wang, Qiang Zhou","doi":"10.1002/aic.18521","DOIUrl":null,"url":null,"abstract":"<p>This work pursues the closure for the effective reaction rate based on fine-grid two-fluid model (TFM) simulations in reactive gas-solid flows. It is found that the mesoscale mechanism in the solid-catalyzed reaction is constrained by the kinetic regime (KR) and the external mass transfer-controlled regimes (EMTR). Thus, a filtered reaction rate model <i>η</i><sub>subgrid</sub> considered two different regimes is proposed. The mesoscale effectiveness factor proposed in previous work is adopted in KR. A filtered interphase mass transfer model <i>Q</i><sub><i>M</i></sub>, which is constructed by analogy to the interphase heat transfer model, is used in EMTR. <i>η</i><sub>subgrid</sub> shows a good predictability in two regimes via a priori test. The fidelity of <i>η</i><sub>subgrid</sub> is also assessed via a filtered TFM simulation. The results indicate that the simulations incorporating corrections for the drag force and reaction rate yield better agreement with the fine-grid simulations for both mass fraction and reaction rate profiles.</p>","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":null,"pages":null},"PeriodicalIF":3.5000,"publicationDate":"2024-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"AIChE Journal","FirstCategoryId":"5","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/aic.18521","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"ENGINEERING, CHEMICAL","Score":null,"Total":0}
引用次数: 0
Abstract
This work pursues the closure for the effective reaction rate based on fine-grid two-fluid model (TFM) simulations in reactive gas-solid flows. It is found that the mesoscale mechanism in the solid-catalyzed reaction is constrained by the kinetic regime (KR) and the external mass transfer-controlled regimes (EMTR). Thus, a filtered reaction rate model ηsubgrid considered two different regimes is proposed. The mesoscale effectiveness factor proposed in previous work is adopted in KR. A filtered interphase mass transfer model QM, which is constructed by analogy to the interphase heat transfer model, is used in EMTR. ηsubgrid shows a good predictability in two regimes via a priori test. The fidelity of ηsubgrid is also assessed via a filtered TFM simulation. The results indicate that the simulations incorporating corrections for the drag force and reaction rate yield better agreement with the fine-grid simulations for both mass fraction and reaction rate profiles.
期刊介绍:
The AIChE Journal is the premier research monthly in chemical engineering and related fields. This peer-reviewed and broad-based journal reports on the most important and latest technological advances in core areas of chemical engineering as well as in other relevant engineering disciplines. To keep abreast with the progressive outlook of the profession, the Journal has been expanding the scope of its editorial contents to include such fast developing areas as biotechnology, electrochemical engineering, and environmental engineering.
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