中文摘要：

在同一反应条件下测定超声波／零价铁[简称（US／Fe）]协同降解六种氯酚类化合物的降解速率常数（k），采用软件Chemomce2005内置的MOPAC2002计算氯酚类化合物的分子结构参数，运用偏最小二乘（PLS）回归分析方法，对氯酚类化合物进行定量结构-性质相关（QSPR）研究，得到预测性较好的模型．模型结果显示，影响US／Fe协同降解性能（logk）的主要因素是Vp、Ehomo、logKo／w、（Elumo-Ehomo）^2和Elumo-Ehocmo．推测在US／Fe协同体系中：（1）氯酚类化合物的降解反应不是以空化泡内的热解反应为主．（2）Fe表面的吸附作用对降解反应起决定影响，且氯酚化合物的氧化反应占主导地位．

英文摘要：

In the article, the combination of ultrasound and Fe is used to degrade six kinds of chlorophenols. Degradation rate constants were mensurated at the same conditions. Molecule structure parameters have been investigated with MOPAC2000 built in ChemOffice2004, degradation rate constants （logk） have been taken as quantitative parameter. By partial least regression （PLS）, the correlation between the logarithm value of logk and structure parameters was re- searched and quantitative structure-property relationship （QSPR） model was developed credibly. QSPR model showed that Vp, Ebomo, （ Elumo - Ehomo ）2 and Elumo - Ehomo are the main factors in degradation of chlorophenols by ulfrasound/ Fe. In this system, the degradation of chlorophenols is not maiuly in the cavitational bubble. The adsorption of Fe＇s surface is determinant in degradation of chlorophenols and the oxidation of chlorophenols is the dominant part.