Zhiping Li
China University of Geosciences (Beijing)
Surface modificationChemistryTriple bondBlocking effectDesalinationLinkerMembraneChemical engineeringMetalMolecular dynamics
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#1Ningkai Shu (China University of Petroleum)
#2Zhikun Wang (China University of Petroleum)H-Index: 10
Last. Qiang Lyu (China University of Petroleum)H-Index: 5
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Abstract null null Molecular dynamics simulations were performed to explore the effect of linker configuration and functionalization on the desalination of Zr-MOF membranes. PTP containing diphenyl rings at linker end and one triple bond at middle has the best permeability (34.50 L/cm2 day MPa). PTP was functionalized by -OH, -CH3, -CF3 and -Cl at two positions that are closer to metal cluster or middle of linker. The Zr-MOF membrane with unmodified PTP has a salt rejection rate 72%, while after...
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