Performance assessment of the MOF adsorbent MIL-101 for removal of gaseous benzene and toluene: kinetic column modeling and simulation studies of fixed-bed adsorption.

The adsorbent MIL-101, a metal-organic framework material, was synthesized, characterized, and tested for removal of relatively low concentrations of benzene and toluene adsorbates (200 ppm) from a gas phase in a continuous flow system. Breakthrough studies were modeled based on Thomas, Yoon-Nelson, Yan, Clark, Bohart-Adams, bed-depth service time, modified dose response, Wolborska, and Gompertz in the continuous fixed-bed operation. Through statistical analysis, it was determined which type of regression is most suitable for the studied models, linear or nonlinear. By comparing the values of error functions, it was possible to infer that the Thomas model is the best match for the experimental breakthrough curves for benzene (with maximum solid-phase concentration q=126,750 mg/g) and the Gompertz model for toluene (parameter β=0.01 min). Overall, when compared to the model parameters of the linear regression, those obtained through nonlinear regression show a stronger correlation with the results found experimentally. Thus, this type of regression is more suitable for the adsorption model analysis. The liquid film and intraparticle diffusion analysis was described, and it was suggested that both types of diffusion contribute to the adsorption mechanism of benzene and toluene on MIL-101. As for the isotherms, the adsorption process was better fitted by the Freundlich isotherm. The reusability of MIL-101 after six cycles was 76.5% for benzene and 62.4% for toluene, indicating that MIL-101 was a better adsorbent for the removal of benzene in comparison with toluene.