Adsorption of methanol, methanal, toluene, ethylbenzene, and styrene in zeolites: a grand canonical Monte Carlo simulation study

In this study, the adsorption behaviors of methanol, methanal, toluene, ethylbenzene, and styrene molecules in FAU, FER, CON, and MWW zeolites were investigated. The adsorption isotherms of the five adsorbates in the four zeolites at 298 and 350 K were simulated using grand canonical Monte Carlo simulations. Moreover, binary component adsorptions were considered. The results revealed that the saturated adsorption capacity of single components in different zeolites decreased in the order of FAU > MWW > CON > FER, and the adsorption capacity of the five adsorbates in the same zeolite decreased in the order of methanal > methanol > toluene > styrene > ethylbenzene. The equilibrium adsorption capacity slightly decreased with increasing temperature. In terms of binary component adsorption, intense competition existed between the smaller adsorbed molecules. As the differences among the molecular structures increased, the competition in adsorption became more intense.