Effects of Water Content on SO۲/N۲ Binary Adsorption Capacities of ۱۳X and ۵A Molecular Sieve, Experiment, Simulation, and Modeling

In this work, SO۲ adsorption on ۱۳X and ۵A was explored at different concentrations, and the results were compared to molecular simulation and models. The adsorbent saturation tests were performed at four different concentrations of ۲۵۰, ۵۰۰, ۷۵۰, and ۱۰۰۰ ppm, and it was observed that saturation would take more time for higher SO۲ concentrations. Grand Canonical Monte Carlo method was used for simulation. In addition, extra framework cations of Na were used ۱۳X structure and Na and Ca Cations were used in ۵A structure. The results of the simulation were compared to experiments. The effect of water molecule content on adsorption was determined by inserting a different number of water molecules. Also, the outcome of experiments and simulations were in good agreement. The results showed that ۱۳X is a better adsorbent for SO۲ than ۵A. ۱۳X zeolite with ۹۶ water molecules and ۵A with ۹۹ were provided the best prediction of experimental results. Yoon-Nelson and BDST models were also used to find the rate of adsorption capacity reduction related to breakthrough curve and loading amount. The results of the two model suggested that ۱۳X has a higher loading capacity while ۵A provided longer saturation time.

کلیدواژه ها:

Sulfur Dioxide ، Adsorption ، Molecular Simulation ، Zeolite ، ۱۳X ، ۵A