期刊
ACS OMEGA
卷 7, 期 9, 页码 7648-7654出版社
AMER CHEMICAL SOC
DOI: 10.1021/acsomega.1c06309
关键词
-
资金
- National Natural Science Foundation of China [21978099]
In this study, a robust ethane-selective metal-organic framework (Ni(BODC)(TED)) was developed and its excellent separation performance for ethane and ethylene was demonstrated. The framework exhibited high adsorption capacity and selectivity, making it a promising material for the industrial separation of ethane from ethylene.
Development of an ethane-selective adsorbent to separate ethane from ethylene is a challenging issue with great significance for ethylene purification. The adsorptive separation technique based on physical adsorption holds a great promise to address this issue. Herein, we report a robust ethane-selective metal-organic framework, Ni(BODC)(TED), and investigate its separation performance on C2H6/C2H4. The as-synthesized Ni(BODC)(TED) exhibits excellent water vapor stability and high capacity of C2H6 molecules with an uptake of 3.36 mmol/g at 298 K and 100 kPa, higher than those of many adsorbents reported in recent years. Its C2H6/C2H4 selectivity predicted by the ideal adsorbed solution theory (IAST) model reaches 1.79. A molecular simulation is applied to unveil the preferential adsorption mechanism of ethane. Calculation shows that five strong C-H center dot center dot center dot H interactions are formed between C2H6 and the framework of Ni(BODC)(TED), and the isosteric heat of ethane on Ni(BODC)(TED) is 27.02 kJ/mol, higher than that of ethylene, resulting in preferential adsorption of ethane. Ni(BODC)(TED) would become a promising member of the family of ethane-selective materials for the industrial separation of ethane from ethylene.
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