For about 10 years, this research group has developed and utilized a particle grain model (PGM), to simulate CO₂-capture carried out by CaO-based porous particles. Chemical kinetics and diffusion parameters were either taken from literature studies or fixed by fitting experimental sorption data. As recently observed, this procedure was not fully satisfactory and revealed systematic, minor discrepancies between PGM numerical results and experimental data when predicting sorbents behavior during the initial chemically controlled regime of carbonation. This work deals with the experimental determination of kinetic and diffusion parameters, utilized in the PGM, by means of straightforward thermogravimetric analysis (TGA) tests on small samples of materials to be evaluated for CO₂ sorption and sorption-enhanced processes. To validate this procedure, the carbonation of two Ni–CaO–mayenite combined sorbent-catalyst materials (CSCMs) was studied in TGA. The experimental data so obtained were used to infer carbonation kinetic parameters tailored for each CSCM, which resulted to be compatible with investigated phenomena and previously proposed values, and allowed faithful PGM predictions at different operating temperatures. These parameters were then implemented in an axial dispersion plug flow reactor model for sorption enhanced steam methane reforming (SESMR): its predictions resulted in good agreement with experimental data from SESMR tests performed in packed beds.

中文翻译：

---

确定CaO基CO ₂吸附剂和吸附剂材料性能所需的动力学和扩散参数

在大约10年的时间里，该研究小组开发并利用了颗粒颗粒模型（PGM），以模拟由CaO基多孔颗粒进行的CO ₂捕获。化学动力学和扩散参数要么来自文献研究，要么通过拟合实验吸附数据进行固定。正如最近观察到的那样，该方法并不完全令人满意，并且在预测最初的化学控制碳酸化过程中的吸附剂行为时，PGM数值结果与实验数据之间存在系统性的细微差异。这项工作通过直接热重分析（TGA）对待评估CO _2的小样品材料进行了PGM中动力学和扩散参数的实验确定。吸附和增强吸附的过程。为了验证该程序，在TGA中研究了两种Ni-CaO-钙铝石复合吸附剂-催化剂材料（CSCM）的碳化。如此获得的实验数据被用来推断为每个CSCM量身定制的碳酸化动力学参数，从而与研究的现象和先前提出的值兼容，并允许在不同的工作温度下进行忠实的PGM预测。这些参数随后在轴向分散活塞流反应器模型中实现，以进行吸附增强的蒸汽甲烷重整（SESMR）：其预测结果与在填充床中进行的SESMR测试得到的实验数据非常吻合。