Scientific Paper
Selective Adsorption and Separation of C 6 Hydrocarbons: The Role of Structural Flexibility and Functionalization in Zeolitic Imidazolate Frameworks
Summary
Two zeolitic imidazolate frameworks, ZIF-8 with methyl and with bromine groups, are compared for adsorbing and separating benzene, cyclohexane and n-hexane. The methyl version takes up benzene and n-hexane but almost no cyclohexane, while the brominated one prefers cyclohexane and nearly excludes n-hexane; simulations and ideal adsorbed solution theory explain this through host–guest interactions and a more rigid, gate-controlled framework.
Summary written by the openQCM team. The original abstract is on the publisher’s page.
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