{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Zhang J"],"funding":["National Natural Science Foundation of China"],"pagination":["7648-7654"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC8908538"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["7(9)"],"pubmed_abstract":["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 C<sub>2</sub>H<sub>6</sub>/C<sub>2</sub>H<sub>4</sub>. The as-synthesized Ni(BODC)(TED) exhibits excellent water vapor stability and high capacity of C<sub>2</sub>H<sub>6</sub> 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 C<sub>2</sub>H<sub>6</sub>/C<sub>2</sub>H<sub>4</sub> 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···H interactions are formed between C<sub>2</sub>H<sub>6</sub> 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."],"journal":["ACS omega"],"pubmed_title":["Preferential Adsorption Performance of Ethane in a Robust Nickel-Based Metal-Organic Framework for Separating Ethane from Ethylene."],"pmcid":["PMC8908538"],"funding_grant_id":["21978099"],"pubmed_authors":["Liu H","Liu Z","Li Z","Zhang J","Xu F","Wang X"],"additional_accession":[]},"is_claimable":false,"name":"Preferential Adsorption Performance of Ethane in a Robust Nickel-Based Metal-Organic Framework for Separating Ethane from Ethylene.","description":"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 C<sub>2</sub>H<sub>6</sub>/C<sub>2</sub>H<sub>4</sub>. The as-synthesized Ni(BODC)(TED) exhibits excellent water vapor stability and high capacity of C<sub>2</sub>H<sub>6</sub> 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 C<sub>2</sub>H<sub>6</sub>/C<sub>2</sub>H<sub>4</sub> 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···H interactions are formed between C<sub>2</sub>H<sub>6</sub> 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.","dates":{"release":"2022-01-01T00:00:00Z","publication":"2022 Mar","modification":"2025-04-19T12:58:56.949Z","creation":"2025-04-19T12:58:56.949Z"},"accession":"S-EPMC8908538","cross_references":{"pubmed":["35284739"],"doi":["10.1021/acsomega.1c06309"]}}