Ozonzation Of Various Organic Substances

The non-degradable organic pollutants have been a difficult area ofEnvironmental Engineering, and Advanced Oxidation Processes （AOP） hasbeen a hot area of research. In this work, removal ratio and kinetics of41kinds of organic substances were investigated, which were Nitrobenzene,Aniline,1,10-Phenanthroline monohydrate and so on, by ozonation processunder different pH conditions. Also the reaction paths of some organicpollutants, the relativity of quantum chemical descriptors of organicpollutants and the kinetic constants of colour removal and TOC removal ratiowere studied.（1） The experiments showed that after continuously infusing24mg·L^-1·min^-1of O₃into the organic solution for about1h, almost allsubstances’ removal ratio reached80%or even100%in three pH conditions.And the Removal ratio of TOC were less than50%in three pH conditions;Most of organic pollutants has better removal rate; The initial reaction processwas in accordance with the first-order kinetic reaction equation, and thekinetic constants were calculated.（2） Moreover, the relationships between kinetic constants of organicpollutants ozonzation process and their quantum chemical parameters wereanalyzed.17quantum chemical parameters were calculated byGaussian09/DFT/B3LYP/6-311g（d,p） for each organic compound, includingEB3LYP, μ, q（C-）_min, ELUMO, EHUMO, bond orders（C-C）_min, bond orders（C-C）_max,q（H⁺）, q（C-H⁺）_max, q（C-H⁺）_min, q（C-）_max, Fukui（+）_max, Fukui（+）_min, Fukui（-）_max,Fukui（-）_min, Fukui（0）_maxand Fukui（0）_minand so on. Then the relationshipbetween these quantum chemical parameters and the kinetic constants ofcolour and TOC removal has also been studied. It’s found that in acid and neutral conditions, the Fukui index, dipole and bond order of C-C are highlyrelated to the colority degradation rate constant. However, in basic condition,the Fukui index is not. It is interesting that the influence of the variousquantum chemical parameters on kinetic constants of TOC was not found.significantly different. The key constructure factors are q（C-H⁺）_min, ELUMOandFukui（+）_max.（3） The reaction mechanism and degradative pathway of organicpollutions by ozonzation process were investigated as well. The intermediateproduct of Aniline, Nitrobenzene, o-Nitrophenylamine and2,6–Dinitrotoluene were analyzed and identified systematically by GC-MS aftertreated by ozonzation process. It turned out that the categories of theintermediate product of Aniline and o-Nitrophenylamine were more thanthose of Nitrobenzene’ and2,6–Dinitrotoluene’.