New challenge of metal-organic frameworks for high-efficient separation of hydrogen chloride toward clean hydrogen energyElectronic supplementary information (ESI) available. See DOI: 10.1039/c4ta06832g

Eleven metal-organic framework (MOF) based materials are employed for H 2 /HCl separation by real breakthrough experiment and molecular dynamic simulation method for the first time. Among these MOF samples, only MIL-101(Cr) and UiO-66 are regenerable and present extremely high working capacity for HCl adsorption up to 7.67 mmol g −1 with unprecedented separation coefficient up to 1363. The dynamic adsorption and separation of H 2 /HCl on UiO-66 and MIL-101(Cr) afford clean hydrogen energy resource with a purity of 99.997%. Eleven metal-organic frameworks are used for H 2 /HCl separation by real breakthrough experiment and molecular dynamic simulations, affording clean hydrogen energy resource with purity >99.997% from chlor-alkali industry exhaust.