文献类型：期刊文献

英文题名：Simulation of carbonation behavior of calcium-based adsorbents for CO2 capture based on a fractal pore size distribution- dynamic random pore coupling particle model

作者：Lou, Huaqi[1,2];Yang, Ying[1,2];Liu, Wenqiang[3];Tan, Yuyao[3];Zhang, Zhuping[3];Yu, Jianguo[1,2]

机构：[1]East China Univ Sci & Technol, Natl Engn Res Ctr Integrated Utilizat Salt Lake Re, Shanghai 200237, Peoples R China;[2]East China Univ Sci & Technol, Engn Res Ctr, Minist Educ, Shanghai 200237, Peoples R China;[3]Huazhong Univ Sci & Technol, Sch Energy & Power Engn, State Key Lab Coal Combust, Wuhan 430074, Peoples R China

年份：2026

卷号：327

外文期刊名：CHEMICAL ENGINEERING SCIENCE

收录：;EI(收录号：20261320378181);WOS:【SCI-EXPANDED(收录号:WOS:001696663400001)】；

基金：This work was supported by the National Key R & D Program of China [grant number 2023YFB4104000] This work was also supported by the Key Research and Development Program of Jiangxi Province [20223BBG74008] ; ECUST-Jinghao Salt Chemical Carbon and Calcium Cycles Joint Research Centre.

语种：英文

外文关键词：Fractaldimension; Calciumlooping; CO2capture; Fractal poresize distribution; Random pore model

摘要：CaO-based adsorbents play a crucial role in industrial flue gas carbon capture, and the accurate prediction of their adsorption performance is essential for optimizing adsorbent design and process operation. In practice, Research on the preparation and performance enhancement of CaO-based sorbents often relies on particle-scale simulation analysis for guidance and optimization. However, traditional particle-scale models, such as grain models and shrinking-core models, typically assume simplified or fixed pore structures, limiting their ability to accurately capture the complex evolution of internal pore networks and the associated heat and mass transfer phenomena. To address this challenge, this study develops a novel particle-scale model aimed at high-precision simulation of coupled heat and mass transfer during the CO2 adsorption process on CaO-based sorbents. A fractal pore size distribution model (FPSDM) and a dynamic random pore model (DRPM) are introduced in this study, allowing for the systematic quantification of key features of CaO particle pore structures at the particle scale for the first time, significantly enhancing the model's description of complex pore structure evolution. Simulation results demonstrate that the proposed model significantly improves the accuracy of predicting CO2 capture performance of CaO-based sorbents, providing more reliable theoretical tools for the rational design of highperformance CaO-based adsorbents and the optimization of carbon capture processes.