TY - JOUR
T1 - Cation-exchanged MZSM-5 for CO2 adsorption
T2 - interplay of interaction potential and adsorption configuration
AU - Huang, Weimin
AU - Li, Ke Xin
AU - He, Yilin
AU - Yuan, Hao
AU - Li, Peng
AU - Chen, Shanshan
AU - Xu, Qihao
AU - Kang, Lixia
AU - Liu, Yongzhong
AU - Hu, Zhun
AU - Yang, Ralph T.
N1 - Publisher Copyright:
© 2025 Elsevier B.V.
PY - 2026/4/5
Y1 - 2026/4/5
N2 - In this study, the CO2 adsorption behavior of ion-exchanged MZSM-5 (M = Li, Na, K, Cs, Ni and Ba) was investigated to elucidate the adsorption mechanism of CO2 on cation sites. Among the ion-exchanged ZSM-5 samples, KZSM-5 showed the highest CO2 adsorption capacity (2.01 mmol/g) approximately twice that of unmodified ZSM-5 (1.12 mmol/g). Fitting of the adsorption isotherms revealed that CO2 adsorption on MZSM-5 followed the dual-site Langmuir model, with a correlation coefficient (R2) ≥ 0.9999. Further thermodynamic analysis showed that field gradient-quadrupole interactions dominating the adsorbate-adsorbent potential energy. In addition, the angle between the field gradient direction of the K+ site in KZSM-5 and the central axis of CO2 was the smallest (38.1°), indicating that CO2 adsorption at this site adopted a more favorable configuration. These findings offer a new paradigm for optimizing CO2 adsorption, emphasizing the interplay of interaction potential and adsorption configuration in adsorbent design.
AB - In this study, the CO2 adsorption behavior of ion-exchanged MZSM-5 (M = Li, Na, K, Cs, Ni and Ba) was investigated to elucidate the adsorption mechanism of CO2 on cation sites. Among the ion-exchanged ZSM-5 samples, KZSM-5 showed the highest CO2 adsorption capacity (2.01 mmol/g) approximately twice that of unmodified ZSM-5 (1.12 mmol/g). Fitting of the adsorption isotherms revealed that CO2 adsorption on MZSM-5 followed the dual-site Langmuir model, with a correlation coefficient (R2) ≥ 0.9999. Further thermodynamic analysis showed that field gradient-quadrupole interactions dominating the adsorbate-adsorbent potential energy. In addition, the angle between the field gradient direction of the K+ site in KZSM-5 and the central axis of CO2 was the smallest (38.1°), indicating that CO2 adsorption at this site adopted a more favorable configuration. These findings offer a new paradigm for optimizing CO2 adsorption, emphasizing the interplay of interaction potential and adsorption configuration in adsorbent design.
KW - Adsorption configuration
KW - Ion exchange
KW - Pressure swing adsorption
KW - ZSM-5
UR - https://www.scopus.com/pages/publications/105025589874
U2 - 10.1016/j.seppur.2025.136604
DO - 10.1016/j.seppur.2025.136604
M3 - 文章
AN - SCOPUS:105025589874
SN - 1383-5866
VL - 386
JO - Separation and Purification Technology
JF - Separation and Purification Technology
M1 - 136604
ER -