Experimental and theoretical study of the temperature-dependence of multicomponent adsorption between -80 °C and +80°C

该项目的目的是首次在-80°C至+80°C的宽温度范围内，对化学性质相似的C2和C5碳氢化合物的混合物吸附的温度依赖性进行实验研究和热力学建模。研究了吸附剂和吸附剂的组合，它们的基本吸附机制不同，从而为混合吸附提供了更深入的见解，例如，相同链长的正烷烃和正烯烃与钠基和（部分）钙交换沸石结合。对这些体系，用实验确定了单组分吸附等温线和混合等温线。实验结果，潜在的机制和相互作用的温度依赖性进行了分析和讨论。为了描述实验数据，（依赖于温度的）热力学一致性模型将被应用、修改或在必要时进一步发展。这包括已建立的方法，如IAST，但如果这些方法不能显示出足够的精度，也可以使用更复杂的模型，如具有相应活度系数模型的RAST。这些模型还有助于对多组分吸附的温度依赖性有更深入的科学理解，以便能够预测它并将其转移到其他系统。最后，在选择性参数的基础上对吸附分离的温度依赖性进行量化，以优化技术分离的工艺参数。

The aim of the proposed project is to experimentally investigate and thermodynamically model the temperature dependence of mixture adsorption of chemically similar C2 to C5 hydrocarbons over a wide temperature range between -80°C and +80°C for the first time.Combinations of adsorptives and adsorbents are investigated, which differ in their fundamental adsorption mechanisms and therefore provide deeper insights into mixture adsorption, e.g. n-alkanes and n-alkenes of the same chain length combined with sodium-based and (partially) calcium-exchanged zeolites. For these systems, single-component adsorption isotherms and mixture isotherms are determined experimentally.The experimental results, the underlying mechanisms and the temperature dependence of the interactions are to be analysed and discussed. To describe the experimental data, (temperature-dependent) thermodynamically consistent models are to be applied, modified or further developed if necessary. This includes established methods like IAST, but also, if these do not show sufficient accuracy, more complex models like RAST with corresponding activity coefficient models. These models also serve to gain a deeper scientific understanding of the temperature dependence of multicomponent adsorption to be able to predict it and transfer it to other systems.Finally, the temperature dependence of the adsorptive separation will be quantified on the basis of selectivity parameters in order to optimize process parameters for technical separations.