Efficiency and degradation products elucidation of the photodegradation of mefenpyrdiethyl in water interface using TiO2 P-25 and Hombikat UV100.
    
    
        
    
    
        
        J. Environ. Sci. 24, 1686-1693 (2012)
    
    
		
		
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				The photodegradation of mefenpyrdiethyl (MFD), an herbicide safener, was investigated in aqueous suspensions by using Degussa P-25 and Hombikat UV100 titanium oxide under simulated sunlight irradiation. The effects of initial concentration of the herbicide, pH, catalysts and hydrogen peroxide doses as well as their combinations were studied and optimized. Accordingly, the kinetic parameters were determined and the effectiveness of the processes was assessed by calculating the rate constants. A pseudo first-order kinetics was observed. Under experimental conditions, the degradation rate constants were strongly influenced using P-25 and no noticeable effect was observed for Hombikat UV100. DFT calculations with B3LYP/6-311+G(2d,p)//B3LYP/6-31+G(d,p) level of theory were performed to check whether significant conformational changes occur when the charge state of the MFD substrate changes and whether these changes could play a role in the dependency of photodegradation rate constant on the studied pH. High resolution mass spectrometry (FT-ICR/MS) was implemented to identify the main degradation products.
			
			
				
			
		 
		
			
				
					
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        Publikationstyp
        Artikel: Journalartikel
    
 
    
        Dokumenttyp
        Wissenschaftlicher Artikel
    
 
    
        Typ der Hochschulschrift
        
    
 
    
        Herausgeber
        
    
    
        Schlagwörter
        Photodegradation ; Mefenpyrdiethyl ; P-25/hombikat Uv100 ; Kinetic ; Degradation Products; OPTIMIZING LARGE MOLECULES; TITANIUM-DIOXIDE; PHOTOCATALYTIC DEGRADATION; AQUEOUS SUSPENSIONS; GEOMETRY OPTIMIZATION; ITERATIVE SUBSPACE; DIRECT INVERSION; DERIVATIVES; PHOTOLYSIS; PATHWAYS
    
 
    
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        Sprache
        englisch
    
 
    
        Veröffentlichungsjahr
        2012
    
 
    
        Prepublished im Jahr 
        
    
 
    
        HGF-Berichtsjahr
        2012
    
 
    
    
        ISSN (print) / ISBN
        1001-0742
    
 
    
        e-ISSN
        1878-7320
    
 
    
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	    Band: 24,  
	    Heft: 9,  
	    Seiten: 1686-1693 
	    Artikelnummer: ,  
	    Supplement: ,  
	
    
 
  
        
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            Verlag
            IOS Press
        
 
        
            Verlagsort
            [Amsterdam]; Beijing
        
 
	
        
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        Peer reviewed
    
 
     
    
        POF Topic(s)
        30202 - Environmental Health
    
 
    
        Forschungsfeld(er)
        Environmental Sciences
    
 
    
        PSP-Element(e)
        G-504800-001
    
 
    
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        Erfassungsdatum
        2012-11-01