Two scenarios were investigated for predicting binary gas adsorption equilibria when the single gas isotherms of one component is described by the three process Langmuir (TPL) model and the single gas isotherms of the other component is described by either the dual process Langmuir (DPL) or single process Langmuir (SPL) model. For the TPL–SPL and TPL–DPL models, 7 and 12 different correlations of energetic (free energy) site matching respectively exist. For these complex systems, perfect positive (PP) means the free energies of the sites of the two components align in some way from high to low, while perfect negative (PN) means they misalign in some way with high free energy sites for one component aligning with low free energy sites for the other component. Other variations of PP and PN exist where the free energies correlate in some way with the free energy of the site of one of the components distributed among two or more sites of the other component, and uncorrelated exit where the free energies do not correlate but possibly still have some site distribution. A consistent set of single and binary isotherms for CO₂ and N₂ on 13X zeolite were used to explore all 19 correlations. CO₂ fitted well only to the TPL single gas model and N₂ fitted equally well to either the DPL or SPL single gas model. Only 3 of the 12 cases for the TPL–DPL model and 2 of the 7 cases for the TPL–SPL model exhibited reasonable predictions of the experimental results; the remaining 14 cases failed. The predictions for CO₂ for both models were very good for all 19 cases; but, some of the predictions for N₂ were so overpredicted, they were not even close to reality. The simpler site matching correlations fared better than the more complex ones, such as those with the sites of N₂ distributed over two or more sites of CO₂. For this CO₂–N₂-13X binary system, PP site matching correlations provided the best predictions, with the high and low free energy sites of N₂ decidedly interacting with the high and medium free energy sites of CO₂ with the low free energy site of CO₂ unoccupied by N₂.

当通过三过程Langmuir（TPL）模型描述一种组分的单一气体等温线并且通过双过程Langmuir（DPL）描述另一组分的单一气体等温线时，研究了两种预测二元气体吸附平衡的方案。单进程Langmuir（SPL）模型。对于TPL–SPL和TPL–DPL模型，分别存在7个和12个不同的能量（自由能）站点匹配相关性。对于这些复杂的系统，正负（PP）表示两个组件的位点的自由能以某种方式从高到低对齐，而正负（PN）表示它们以某种方式与一个组件的高自由能位置不对齐。与其他组件的低自由能位点保持一致。PP和PN的其他变化也存在，其中自由能以某种方式与分布在另一组分的两个或多个部位之间的组分之一的部位的自由能相关，并且存在不相关的出口，其中自由能不相关但可能仍然有一些网站分布。CO的一组一致的单等温线和二等温线使用13X沸石上的₂和N ₂来探索所有19种相关性。CO ₂仅适合于TPL单气体模型，而N ₂同样适合于DPL或SPL单气体模型。TPL-DPL模型的12例中只有3例，TPL-SPL模型的7例中有2例显示了对实验结果的合理预测。其余14例失败。两种模型对CO ₂的预测在所有19种情况下都非常好。但是，对N _2的某些预测是如此的高估，甚至与现实不符。较简单的位点匹配相关性要好于较复杂的位点匹配相关性，例如具有N ₂的位点的相关性分布在两个或两个以上的CO _2位置。对于此CO ₂ -N ₂ -13X二元系统，PP位点匹配相关性提供了最佳预测，N ₂的高和低自由能位点与具有低自由能的CO ₂的高和中自由能位点相互作用N ₂未被占用的CO ₂位置。