On the performance of Cu-BTC metal organic framework for carbon tetrachloride gas removal.
The performance of Cu-BTC metal organic framework for carbon tetrachloride removal from air has been studied using molecular simulations. According to our results, this material shows extremely high adsorption selectivity in favour of carbon tetrachloride. We demonstrate that this selectivity can be further enhanced by selective blockage of the framework.
Calero
Sofía
S
Department of Physical, Chemical, and Natural Systems, University Pablo de Olavide, Seville, Spain. scalero@upo.es
Martín-Calvo
Ana
A
Hamad
Said
S
García-Pérez
Elena
E
D000327:Adsorption; D002251:Carbon Tetrachloride / Q000737:chemistry*; D003300:Copper / Q000737:chemistry*; D005740:Gases / Q000737:chemistry; D056004:Molecular Dynamics Simulation; D009010:Monte Carlo Method; D009942:Organometallic Compounds / Q000138:chemical synthesis / Q000737:chemistry*; D014233:Tricarboxylic Acids / Q000737:chemistry*
D005740:Gases; D009942:Organometallic Compounds; D014233:Tricarboxylic Acids; D003300:Copper; D002251:Carbon Tetrachloride