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Complete separation of benzene-cyclohexene-cyclohexane mixtures via temperature-dependent molecular sieving by a flexible chain-like coordination polymer

Feng Xie, Lihang Chen, Eder Moisés Cedeño Morales, Saif Ullah, Yiwen Fu, Timo Thonhauser, Kui Tan, Zongbi Bao, Jing Li

2024Nature Communications46 citationsDOIOpen Access PDF

Abstract

Abstract The separation and purification of C6 cyclic hydrocarbons (benzene, cyclohexene, cyclohexane) represent a critically important but energy intensive process. Developing adsorptive separation technique to replace thermally driven distillation processes holds great promise to significantly reduce energy consumption. Here we report a flexible one-dimensional coordination polymer as an efficient adsorbent to discriminate ternary C6 cyclic hydrocarbons via an ideal molecular sieving mechanism. The compound undergoes fully reversible structural transformation associated with removal/re-coordination of water molecules and between activated and hydrocarbon-loaded forms. It exhibits distinct temperature- and adsorbate-dependent adsorption behavior which facilitates the complete separation of benzene, cyclohexene and cyclohexane from their binary and ternary mixtures, with the record-high uptake ratios for C 6 H 6 /C 6 H 12 and C 6 H 10 /C 6 H 12 in vapor phase and highest binary and ternary selectivities in liquid phase. In situ infrared spectroscopic analysis and ab initio calculations provide insight into the host-guest interactions and their effect on the preferential adsorption and structural transformation.

Topics & Concepts

CyclohexaneCyclohexeneAdsorptionBenzeneTernary operationMoleculeMaterials scienceChemical engineeringChemistryPhysical chemistryOrganic chemistryCatalysisComputer scienceEngineeringProgramming languageMetal-Organic Frameworks: Synthesis and ApplicationsCovalent Organic Framework ApplicationsMembrane Separation and Gas Transport