混合气体吸附多组分势理论的解耦算法
Decoupled algorithm for the multicomponent potential theory of adsorption of gas mixtures
摘要：
在本文中，我们提出了一个新的实现的多组分吸附势理论模型。建议的解释建立了一个明确的切割参数，取决于吸附剂从那些取决于吸附质，这导致更好地理解参数的含义。消除了纯等温线之间的相互依赖性，这意味着每个组件都可以单独进行微调。对活性炭、MOF和沸石上CH4、CO2、N2、H2、O2、H2S、C2H6、C3H6和C3H8的14个数据集进行了测试，共获得了510个实验混合物吸附数据。4.67%的过量吸附预测略有改善，导致总的过量吸附和15.30%的混合物和组分过量吸附预测的总体平均误差为6.97%。
英文摘要：
In this paper, we present a new implementation of the Multicomponent Potential Theory of Adsorption model. The proposed interpretation establishes a clear cut between parameters that depends on the adsorbent from those depending on the adsorbate, which leads to a better understanding of the parameters signification. The interdependence between pure isotherms is eliminated, which mean that each component can be individually finely adjusted. This new approach was tested against 14 datasets for a total of 510 experimental mixture adsorption data of CH4, CO2, N2, H2, O2, H2S, C2H6, C3H6 and C3H8 on activated carbons, MOF and zeolites. A slight improvement of 4.67% on excess adsorption predictions was found, leading to an overall average error of 6.97% for total excess adsorption and 15.30% for combined mixtures and components excess adsorption predictions.
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