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Full Exclusion of Branched Hexanes from Their Linear Isomer by a Robust Aluminum Metal–Organic Framework with Tailored Pore Structure

Liang Yu, Saif Ullah, Jinze Yao, Danxia Lin, Jiajin Huang, Shi Tu, Haoyuan Luo, Qibin Xia, Timo Thonhauser, Hao Wang

2023ACS Materials Letters11 citationsDOIOpen Access PDF

Abstract

High-efficiency separation of hexane isomers through selective molecular exclusion represents an important yet challenging task in the petrochemical industry. It has stringent requirements on the adsorbents’ pore shape and dimensions. Here we report the complete exclusion of branched hexanes from their linear isomer by an aluminum metal–organic framework, CAU-21-ODB (ODB = 4,4′-oxidibenzoate) with high stability. The unique gourd-shaped channels with suitable pore aperture lead to substantial uptake of nHEX (141 mg/g at 30 °C) but negligible adsorption of its branched isomers under identical conditions. The capability of CAU-21-ODB for the separation of hexane isomers has been verified by multicomponent breakthrough experiments. DFT calculations further confirm the size-exclusion-based separation mechanism.

Topics & Concepts

HexaneAluminiumAdsorptionPetrochemicalMaterials scienceMetal-organic frameworkMetalChemistryChemical engineeringComputational chemistryOrganic chemistryEngineeringMetal-Organic Frameworks: Synthesis and ApplicationsCovalent Organic Framework ApplicationsZeolite Catalysis and Synthesis