A stable paddle-wheel Co-MOF (FNU-2) for the efficient separation of light hydrocarbons

• Published in: Microporous and mesoporous materials Vol. 366; p. 112970
• Main Authors: Xiong, Guang-Zu, Zhang, Jie, Lin, Bing, Du, Yu-Ting, Li, Bingwen, Gui, Liu-Cheng, Zhang, Xiao-Xia, Qiu, Zhihui, Guo, Xing-Zhe, Chen, Shui-Sheng
• Format: Journal Article
• Language: English
• Published: Elsevier Inc 15.02.2024
• Subjects: Breakthrough curve; DFT simulated; Gas separation; Metal-organic frameworks; Gas separation; DFT simulated; Metal-organic frameworks; Breakthrough curve
• ISSN: 1387-1811; 1873-3093
• DOI: 10.1016/j.micromeso.2023.112970

The separation of methane from higher hydrocarbons (C2–C3) in natural gas processing is a crucial and energy-intensive operation. This work presents a comprehensive study on the separation of propane and ethane from methane using cobalt-based metal-organic frameworks (FNU-2), which exhibit exceptional stability and selectivity and preferential adsorption towards C2–C3 hydrocarbons. The selectivity values of C2H6/CH4 and C3H8/CH4 calculated by IAST are 43.9 and 638.9, respectively. According to theoretical calculations, the Van der Waals interactions of guest molecules play crucial roles in influencing the separation performance. Moreover, dynamic breakthrough experiments have revealed the promising potential of this adsorbent in industrial separations. These experiments indicate that the adsorbent is highly suitable for effectively separating and purifying natural gas. This study overall presents a novel and efficient adsorbent that can be employed to separate and purify natural gas in various industrial applications. [Display omitted] •An innovative paddle-wheel Cobalt-based MOF (FNU-2) has been successfully synthesized.•FNU-2 exhibits the highest selectivity (638.9) for C3H8/CH4 as a result of the reported works.•FNU-2 provides efficient one-step CH4 purification from a C3H8/C2H6/CH4 ternary mixture.•Adsorption mechanism of FNU-2 revealed by GCMC simulations and DFT calculations.