Heterogeneous catalytic wet peroxide oxidation of simulated phenol wastewater by copper metal–organic frameworks

RSC Advances ◽  
2015 ◽  
Vol 5 (41) ◽  
pp. 32795-32803 ◽  
Author(s):  
Kai Huang ◽  
Yang Xu ◽  
Lianguang Wang ◽  
Dongfang Wu
Keyword(s):  
Heterogeneous Catalysts ◽  
Metal Organic Frameworks ◽  
Peroxide Oxidation ◽  
Copper Metal ◽  
Heterogeneous Catalytic ◽  
Wet Peroxide Oxidation ◽  
Porous Copper ◽  
Metal Organic ◽  
Catalytic Wet Peroxide Oxidation ◽  
Phenol Wastewater

Two different porous copper metal–organic frameworks (Cu-MOFs) named as Cu3(BTC)2 and Cu(BDC) were synthesized and applied as heterogeneous catalysts for the catalytic wet peroxide oxidation (CWPO) of simulated phenol wastewater (100 mg L−1).

Copper hydroxyl sulfate as a heterogeneous catalyst for the catalytic wet peroxide oxidation of phenol

RSC Advances ◽  
2015 ◽  
Vol 5 (11) ◽  
pp. 8455-8462 ◽  
Author(s):  
Kai Huang ◽  
Jiejie Wang ◽  
Dongfang Wu ◽  
Sheng Lin
Keyword(s):  
Hydrogen Peroxide ◽  
Hydrothermal Method ◽  
Heterogeneous Catalyst ◽  
Heterogeneous Catalysts ◽  
Peroxide Oxidation ◽  
Simple Hydrothermal Method ◽  
Wet Peroxide Oxidation ◽  
Oxidation Of Phenol ◽  
Catalytic Wet Peroxide Oxidation ◽  
Phenol Wastewater

Copper hydroxyl sulfates Cu4(OH)6SO4-A and Cu4(OH)6SO4-B were successfully synthesized by a simple hydrothermal method and applied as heterogeneous catalysts to degrade phenol wastewater in the presence of hydrogen peroxide (H2O2).

scholarly journals Computational Screening of Roles of Defects and Metal Substitution on Reactivity of Different Single- vs Double-Node Metal–Organic Frameworks for Sarin Decomposition

2019 ◽  
Author(s):  
MohammadReza MomeniTaheri ◽  
Christopher J. Cramer
Keyword(s):  
Heterogeneous Catalysts ◽  
Metal Organic Frameworks ◽  
Chemical Warfare Agent ◽  
Metal Substitution ◽  
Heterogeneous Catalytic ◽  
Computational Screening ◽  
Periodic Models ◽  
Metal Organic ◽  
Hydrolysis Of ◽  
Defective Sites

Understanding how different factors affect the electronic prop-erties of metal-organic frameworks (MOFs) is critical to under-standing their potential for catalysis and to serve as catalyst supports. In this work, periodic dispersion corrected PBE cal-culations are performed to assess the catalytic activity of dif-ferent Zr6 vs Zr12 metal-organic frameworks (MOFs) for the heterogeneous catalytic hydrolysis of the chemical warfare agent (CWA) sarin. Using a comprehensive series of extended periodic models capable of capturing long-range sar-in/water/framework interactions in both Zr6 and Zr12 MOFs, the effect of numbers and morphologies of defective sites as well as ZrIV substitution with heavier CeIV are thoroughly in-vestigated. Our calculations show that hydrogen bonds in-volving both metal-oxide nodes and organic linkers can play important roles in the catalysis. Insights derived from this work should inform the design and realization of more effec-tive and robust next-generation MOF-based heterogeneous catalysts.

scholarly journals Computational Screening of Roles of Defects and Metal Substitution on Reactivity of Different Single- vs Double-Node Metal–Organic Frameworks for Sarin Decomposition

2019 ◽  
Author(s):  
MohammadReza MomeniTaheri ◽  
Christopher J. Cramer
Keyword(s):  
Heterogeneous Catalysts ◽  
Metal Organic Frameworks ◽  
Chemical Warfare Agent ◽  
Metal Substitution ◽  
Heterogeneous Catalytic ◽  
Computational Screening ◽  
Periodic Models ◽  
Metal Organic ◽  
Hydrolysis Of ◽  
Defective Sites

Understanding how different factors affect the electronic prop-erties of metal-organic frameworks (MOFs) is critical to under-standing their potential for catalysis and to serve as catalyst supports. In this work, periodic dispersion corrected PBE cal-culations are performed to assess the catalytic activity of dif-ferent Zr6 vs Zr12 metal-organic frameworks (MOFs) for the heterogeneous catalytic hydrolysis of the chemical warfare agent (CWA) sarin. Using a comprehensive series of extended periodic models capable of capturing long-range sar-in/water/framework interactions in both Zr6 and Zr12 MOFs, the effect of numbers and morphologies of defective sites as well as ZrIV substitution with heavier CeIV are thoroughly in-vestigated. Our calculations show that hydrogen bonds in-volving both metal-oxide nodes and organic linkers can play important roles in the catalysis. Insights derived from this work should inform the design and realization of more effec-tive and robust next-generation MOF-based heterogeneous catalysts.

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