The binding affinity distribution is a fingerprint of the adsorbent heterogeneity. In chromatographic separations, the affinity distribution determines the molecular recognition capability of the stationary phases. In gas storage and separation applications, the affinity distribution decides the selectivity towards a target molecule. The end application of almost every molecular recognizing material like molecularly imprinted polymers (MIPs) critically depend on their affinity distribution. In this work, we develop two simple analytical expressions by coupling a numerical technique with the widely used Toth isotherms. These models are universally applicable and can accurately characterize different classes of industrially-important adsorbents that include metal organic frameworks, carbon allotropes and chromatographic stationary phases for their selectivity, binding affinity and adsorption site heterogeneity. The models require only the Toth isotherm parameters to characterize both homogeneous or heterogeneous adsorbents.

中文翻译：

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使用Toth等温线探测吸附剂的非均质性

结合亲和力分布是吸附剂异质性的指纹。在色谱分离中，亲和力分布决定了固定相的分子识别能力。在气体存储和分离应用中，亲和力分布决定了对目标分子的选择性。几乎每种分子识别材料（如分子印迹聚合物（MIP））的最终应用都取决于它们的亲和力分布。在这项工作中，我们通过将数值技术与广泛使用的Toth等温线耦合来开发两个简单的解析表达式。这些模型具有通用性，可以准确地表征不同类别的重要工业吸附剂，包括金属有机骨架，碳同素异形体和色谱固定相的选择性，结合亲和力和吸附位点异质性。该模型仅需要Toth等温线参数即可表征均质或非均质吸附剂。