The utility of nickel/iron in the remediation of atrazine-contaminated water was investigated. The experimental results showed that nickel/iron had effective catalytic activity in dechlorinating atrazine under acidic ...The utility of nickel/iron in the remediation of atrazine-contaminated water was investigated. The experimental results showed that nickel/iron had effective catalytic activity in dechlorinating atrazine under acidic conditions. The dechlorination reaction approximately followed the first-order kinetics under the experimental conditions(nickel/iron:1.0 g/250 ml;C atrazine=20.0 mg/L), the reaction rate increased with decreasing pH value of the reaction solution and increasing the proportion of Ni:Fe within 2.95%. For condition with 2.95% nickel/iron, the reaction rate constants were 0.07518(R=0.9927), 0.06212(R=0.9846) and 0.00131 min -1(R=0.9565) at pH=2.0, 3.0 and 4.0, respectively. HPLC analysis was used to monitor the decline of atrazine concentration.展开更多
Dielectric barrier discharges （DBD） have been used in the degradation of dioxins due to the large number of excimers and free radicals produced in discharge process. In this article, the density functional theory （...Dielectric barrier discharges （DBD） have been used in the degradation of dioxins due to the large number of excimers and free radicals produced in discharge process. In this article, the density functional theory （DFT） is used to study the degradation mechanism of octachlorinated dibenzo-p-dioxin （OCDD） with the atomic oxygen O（3P） in DBD reactor. The reactants, intermediates, transition states and products are optimized at the MPWB1K/6- 31 ＋ G（d,p） level. The vibrational frequencies have been calculated at the same level. The reaction pathways and mechanisms are analyzed in detail. The effect of removing the chlorine atom on environment also has been discussed.展开更多
文摘The utility of nickel/iron in the remediation of atrazine-contaminated water was investigated. The experimental results showed that nickel/iron had effective catalytic activity in dechlorinating atrazine under acidic conditions. The dechlorination reaction approximately followed the first-order kinetics under the experimental conditions(nickel/iron:1.0 g/250 ml;C atrazine=20.0 mg/L), the reaction rate increased with decreasing pH value of the reaction solution and increasing the proportion of Ni:Fe within 2.95%. For condition with 2.95% nickel/iron, the reaction rate constants were 0.07518(R=0.9927), 0.06212(R=0.9846) and 0.00131 min -1(R=0.9565) at pH=2.0, 3.0 and 4.0, respectively. HPLC analysis was used to monitor the decline of atrazine concentration.
基金supported by the National Natural Science Foundation of China (No. 21277082, 21177076, 71201093)the Promotive Research Fund for Excellent Young and Middleaged Scientists of Shandong Province (Nos. BS2012HZ009, BS2012SF012)+2 种基金Graduate Independent Innovation Foundation of Shandong University (No. yzc12120)Program for New Century Excellent Talents in University (NCET-13-0349)Marie Curie International Research Staff Exchange Scheme Fellowship within the 7th European Community Framework Program (No. 295132)
文摘Dielectric barrier discharges （DBD） have been used in the degradation of dioxins due to the large number of excimers and free radicals produced in discharge process. In this article, the density functional theory （DFT） is used to study the degradation mechanism of octachlorinated dibenzo-p-dioxin （OCDD） with the atomic oxygen O（3P） in DBD reactor. The reactants, intermediates, transition states and products are optimized at the MPWB1K/6- 31 ＋ G（d,p） level. The vibrational frequencies have been calculated at the same level. The reaction pathways and mechanisms are analyzed in detail. The effect of removing the chlorine atom on environment also has been discussed.
