On the capture of ultralow-level benzene in indoor environments: Experiments, modeling and molecular simulation

Benzene is one of the major indoor air pollutants, according to the World Health Organization (WHO), and understanding its adsorption and the difference between the adsorption behavior of benzene and water are essential in developing high-performance, water-resistant adsorbents. This paper presents a comprehensive study of benzene adsorption in carbon nano-porous materials by combining high-resolution measurement, modeling and molecular simulation. High-resolution isotherms and isosteric heats of benzene adsorption in two materials, microporous activated carbon fiber (ACF) and micro-mesoporous CMK-3 were provided. It is found that CMK-3 has higher specific adsorption capacity than ACF at very low pressures (< 10(-3) P/P-0), making it a promising adsorbent for benzene capture in indoor environments. The Dubinin - Radushkevich model were used to fit the isotherms over the low-pressure regions. Furthermore, the experimental isotherm and the isosteric heat were analyzed with molecular simulation results, and the emphasis is placed on the behavior at ultralow pressures of benzene, typically found in indoor environments. Suggestion on the evaluation and management of adsorbents in terms of minimizing the impacts of ambient moisture were provided.