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Performance evaluation and prediction of activated carbon for VOCs via experiments and LFER methods
Yufeng Zhao,Mengxi Zhang,Chen Yang,Ruyi Xiang,Xudong Yang,Longzhe Cui 한국공업화학회 2022 Journal of Industrial and Engineering Chemistry Vol.116 No.-
Due to the diversity and fluidity of volatile organic compounds (VOCs), it is difficult to conduct experimentalstudies on activated carbon (AC) used to capture VOCs in industry. Therefore, predicting theadsorption capacity of AC for VOCs is of great significance for evaluating the adsorption performanceof AC and developing its promising applications. Herein, based on the experimental data of dynamicadsorption, the poly parameter linear free energy relationship (pp-LFER) model was developed to quantifythe interactions between VOCs and AC. Through the dynamic adsorption curves of 25 VOCs on a fixedbed packed with the AC, the partition coefficient (PC) and adsorption capacity (q) of AC for VOCs werecalculated, and the pp-LFER equations used to predict them were established. For the PC values, thepp-LFER model consists of the excess molar refractive index (E), molar polarizability (S), hydrogenbondacidity (A), and logarithmic hexadecane-air partition coefficient (L), and the R2 of it was 0.86. Forthe ln q values, the developed model can predict it in R2 of 0.83, and the increased adsorption capacitywas predominantly attributed to the dispersive interaction (lL). Finally, the internal and external validationresults confirmed that the developed models have reliability, robustness, and predictability.
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