In this study, a heterogeneous structure-based mass-transfer model is established coupled with the mass-transfer equilibrium between internal/external diffusions and the chemical reaction, which is adopted to simulate the fluidized reaction with a shrinking core model by using the computational fluid dynamics. This research opens new process-specific insights into the fluid–solid reaction, such as the effects of different reaction parameters on the solid conversion rate, the variations of reaction rates for solid and gas phases, unreacted core size and particle density, gaseous reactant concentration at the unreacted core surface, and concentration gradient at the particle shell. It is proved that a reasonable numerical investigation of gas–solid mass-transfer behavior should take account of fluid dynamics, reaction kinetics, and heterogeneous flow structure, comprehensively.

中文翻译：

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基于结构传质模型：缩核反应的流固非催化反应模拟

本研究建立了一种基于异质结构的传质模型，并结合了内部/外部扩散与化学反应之间的传质平衡，并通过计算流体对收缩核模型进行了流化反应模拟。动力学。这项研究为流固反应提供了特定于过程的新见解，例如不同反应参数对固体转化率的影响，固相和气相反应速率的变化，未反应的核尺寸和颗粒密度，气态反应物浓度在未反应的核表面处的浓度，在颗粒壳处的浓度梯度。已经证明，对气固传质行为进行合理的数值研究应考虑流体动力学，反应动力学，