Work

Direct Air Capture of Carbon Dioxide into MFI Frameworks by Low‐Temperature Swing Under Realistic Humidity

Year: 2025

Type: article

Abstract: The urgent need to combat global warming inspired the introduction of the concept of carbon dioxide direct air capture (CO 2 ‐DAC), a key strategy for decentralized greenhouse gas removal from air. In this study, a simple approach for CO 2 ‐DAC is introduced, utilizing ZSM‐5 and its ion‐exchanged analogues to effectively concentrate CO 2 from humid air (80% RH) at 5 °C and enable its recovery at a moderate desorption temperature of 25 °C where in both cases, ambient air served as a sustainable CO 2 source and desorption medium. Repeated adsorption (5 °C) and desorption (25 °C) cycles confirm the adsorbent stability under realistic conditions. Based on Monte Carlo (MC) and molecular dynamics (MD) simulations, a preferential CO 2 adsorption via electrostatic interactions with minimal competitive adsorption with H 2 O is observed, explained by the facile diffusion of CO 2 into the micropores compared to the preferred H 2 O adsorption on the outer surface of the zeolite. These experimental and theoretical insights pave the way for industrial CO 2 ‐DAC applications using zeolite‐based adsorbents.

Source: Small

DOI: 10.1002/smll.202508150