title: Structure relationship for catalytic dechlorination rate of dichlorobenzenes in water.
abstract: Three isomers of dichlorobenzene (o-, m- and p-DCB) were dechlorinated by Pd/Fe catalyst in aqueous solutions through catalytic reduction. The dechlorination reaction took place on the surface site of the catalyst via a pseudo-first-order kinetics, and resulted in benzene as the final reduction product. The rate constants of the reductive dechlorination for the three dichlorobenzenes (DCBs) in the presence of Pd/Fe as a catalyst were measured experimentally. In all cases, the reaction rate constants were found to increase with the decrease in the Gibbs free energy of the formation of DCBs. The reaction rate constant for o-, m- and p-DCBs in the presence of 0.020% (w/w) Pd/Fe at 25 degrees C was determined to be 0.0213, 0.0223, and 0.0254 min(-1), respectively. While the activation energy of each dechlorination reaction was measured to be 102.5, 96.6 and 80.0 kJ mol(-1) for o-, m- and p-DCBs, respectively. The results demonstrated that p-DCBs were reduced more easily than o- or m-DCBs, and the order of the tendency of the dechlorination was p-DCB>m-DCB>o-DCB. The presented data show the catalytic reduction using Pd/Fe as a catalyst is a fast and easy approach for the dechlorination of DCBs.
authors.affiliation: Department of Environmental Engineering, Zhejiang University, Hangzhou 310027, People's Republic of China. xhxu@hzcnc.com
authors.forename: Xinhua
authors.initials: X
authors.lastname: Xu
authors.forename: Hongyi
authors.initials: H
authors.lastname: Zhou
authors.forename: Dahui
authors.initials: D
authors.lastname: Wang
mesh_terms: D002384:Catalysis; D002713:Chlorine / Q000737:chemistry*; D002722:Chlorobenzenes / Q000737:chemistry*; D007501:Iron / Q000737:chemistry; D007536:Isomerism; D007700:Kinetics; D010084:Oxidation-Reduction; D010165:Palladium / Q000737:chemistry; D013329:Structure-Activity Relationship; D018508:Water Purification / Q000379:methods*
chemical_list: D002722:Chlorobenzenes; D002713:Chlorine; D010165:Palladium; D007501:Iron