%0 Journal Article
%T Quantitative structure property relationships study on degradation of chlorophenols by US/Fe<br>超声波/零价铁(US/Fe)协同降解氯酚类化合物的QSPR研究
%A DAI Youzhi
%A ZHU Fei
%A LI Fenfang
%A YANG Dasen
%A YANG Xiangzheng
%A <br>戴友芝
%A 朱飞
%A 李芬芳
%A 杨大森
%A 杨湘政
%J 环境科学学报
%D 2007
%I 
%X In the article, the combination of ultrasound and Fe is used as a means to degrade six kinds of chlorophenols. Degradation Rate constants were determined with the same experimental conditions. Molecule structure parameters were investigated with MOPAC2002 built in ChemOffice2005. By partial least regression (PSL), the correlation of the logarithm value of K and structure parameters were researched and quantitative structure property relationship (QSPR) model was developed credibly. Analytical results of PLS showed that Vp, Elumo, (Elumo-Ehomo)2 and Elumo-Ehomo are the main factors in degradation of chlorophenols by US/Fe. Based on the analytical results, it is concluded that the chlorophenols are not degraded by sonolysis in the cavitational bubble but by the adsorption on Fe's surface and the oxidation of ·OH.
%K chlorophenol
%K US/Fe
%K degradation rate constant
%K QSPR
%K PLS<br>氯酚类化合物
%K 超声波/零价铁
%K 降解性能
%K QSPR
%K PLS
%K 超声波
%K 零价铁
%K 协同降解
%K 氯酚类化合物
%K QSPR
%K 研究
%K chlorophenols
%K degradation
%K study
%K relationships
%K property
%K structure
%K 吸附作用
%K 氧化反应
%K 氯酚化合物
%K 决定影响
%K 表面
%K 热解反应
%K 空化泡
%K 降解反应
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=3FF3ABA7486768130C3FF830376F43B398E0C97F0FF2DD53&cid=A7CA601309F5FED03C078BCE383971DC&jid=03A55E61A8750ACAC6AF81EF9E2AC838&aid=815415A8B6CEB9262C7F2876672106D0&yid=A732AF04DDA03BB3&vid=DB817633AA4F79B9&iid=0B39A22176CE99FB&sid=10828928EB89AD8E&eid=80BD0A2EF8664214&journal_id=0253-2468&journal_name=环境科学学报&referenced_num=5&reference_num=20