AI Article Synopsis
- The study investigates the cooperative effects in the adsorption of ethanol and 1-butanol from vapor on the material ZIF-8, revealing that binary mixtures show increased equilibrium capacities compared to individual components.
- This behavior was predicted using ideal adsorbed solution theory (IAST) and confirmed through grand canonical Monte Carlo (GC MC) simulations, which highlighted the interactions among adsorbate molecules.
- Breakthrough experiments demonstrated the predicted cooperative adsorption through specific changes observed during the regeneration of ZIF-8 packed columns, leading to the development of a dynamic breakthrough model that incorporates IAST to explain the results.
Article Abstract
While in most adsorptive separations different mixture components tend to compete for different adsorption sites, we report the existence of cooperative effects in the adsorption of alcohols (ethanol and 1-butanol) from the vapor phase on ZIF-8. The presence of these molecules in binary mixtures leads to an increase in their equilibrium capacities, compared to the pure component isotherms. These effects were first observed when predicting the mixture equilibrium capacities using the ideal adsorbed solution theory (IAST) and were also observed via grand canonical Monte Carlo (GC MC) simulations. GC MC simulations showed that the interaction between adsorbate molecules leads to the cooperative effect predicted by IAST. The predicted cooperative adsorption could be confirmed via breakthrough experiments. In these experiments, a "roll-up" of 1-butanol was observed during the regeneration of a ZIF-8 packed column. A dynamic breakthrough model employing IAST was developed and used to explain the effect of the adsorption equilibrium on the dynamic breakthrough profiles.
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| http://dx.doi.org/10.1021/acs.langmuir.8b03946 | DOI Listing |
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