In this work, we solved the differential equations of mass and energy balance describing the n-hexane adsorption and desorption process in 5A zeolite under non-isothermal and non-adiabatic conditions. The solution provided a theoretical model that may be used to determine the significance of the mass and thermal transfer effects applied to transient adsorption. We validated numerical results with experimental data from the literature, finding the n-hexane adsorption to be exothermic. Because the diffusion in the system is fast, the breakthrough curves showed the typical form of thermal limitation. We found desorption depends on the desorbent fluid and feed rate. We evaluated the stability of the numerical method using the eigenvalues of the matrix system. Hence, the computational code developed may be used to simulate real operating conditions for the adsorption/desorption process of gases with porous adsorbents once the process parameters are known.

中文翻译：

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非等温非绝热固定床吸附模型中的有限差分近似：在正己烷中的应用

在这项工作中，我们求解了描述非等温非绝热条件下 5A 沸石中正己烷吸附和解吸过程的质量和能量平衡微分方程。该解决方案提供了一个理论模型，可用于确定应用于瞬态吸附的传质和传热效应的重要性。我们用文献中的实验数据验证了数值结果，发现正己烷吸附是放热的。由于系统中的扩散速度很快，穿透曲线显示出典型的热限制形式。我们发现解吸取决于解吸剂流体和进料速率。我们使用矩阵系统的特征值来评估数值方法的稳定性。因此，