文章基本信息

标题：A Multi-scale model for CO 2 capture: A Nickel-based oxygen carrier in Chemical-looping Combustion
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作者：Huabei You ; Yue Yuan ; Jingde Li 等
期刊名称：IFAC PapersOnLine
印刷版ISSN：2405-8963
出版年度：2018
卷号：51
期号：18
页码：97-102
DOI：10.1016/j.ifacol.2018.09.264
语种：English
出版社：Elsevier
摘要：AbstractIn this work, we present a multi-scale modelling framework for the Ni-based oxygen carrier (OC) particle that can explicitly account for the complex reaction mechanism taking place on the contacting surface between gas and solid reactants in Chemical Looping Combustion (CLC). This multi-scale framework consists of a gas diffusion model and a surface reaction model. Continuum equations are used to describe the gas diffusion inside OC particles, whereas Mean-field approximation method is adopted to simulate the micro-scale events, such as molecule adsorption and elementary reaction, occurring on the contacting surface. A pure CO stream is employed as the fuel gas whereas the NiO is used as the metal oxide because it is one of the mostly used material in laboratory and pilot-scale plants. Rate constants for the micro-scale events considered in the present work were obtained from a systematic Density Functional Theory (DFT) analysis, which provides a reasonable elementary reaction kinetics and lays a solid foundation for multi-scale calculations. A sensitivity analysis on the size of intra-particle pore and the adsoprtion rate constant was conducted to assess the mass transport effects on the porous particle. The proposed multi-scale model shows reasonable tendencies and responses to changes in key modelling parameters.
关键词：KeywordsMulti-scale modelHeterogeneous modellingCO2captureChemical-looping combustionOxygen carrier