中文摘要：

通过查阅文献和计算得到13种氯酚类化合物的18个理化量化参数，应用simca统计软件，采用厌氧生物降解一级速率常数（10gKb）对其作定量结构-生物降解性关系（QSBR）的研究，探讨影响氯酚类化合物厌氧生物降解的主要因素。通过回归分析，得到了最佳QSBR模型：logKb=-2．88614—1．26660^1X^v＋0．13049a＋0．06268HOF＋0．00078CCR＋0．00188TE-0．01647Mw（Q^2cum=0．768，P=0．000001，R=0．9469）模型表明分子最终生成热（HOF）、分子总的芯排斥能（CCR）和平均分子极化率（a）是氯酚类化合物厌氧生物降解的主要影响因素，一阶分子连接性指数（1X^v）、相对分子质量（Mw）和电子总能量（EE）的影响也不可忽视。

英文摘要：

18 kinds of physical chemistry and quantum chemistry parameters of 13 chlorophenols were obtained through documents and calculation. Using the computer software simica, the quantitative-structure biodegradation relationship（QSBR） was studied with the first-order rate constant （logKb ） , to discuss the main factors of the anaerobic biodegradation of chlorophenols. Through regression analysis,the optimal models was obtained as follows： logKb = -2. 88614 - 1. 266601Xv ＋ 0. 13049a ＋ 0. 06268HOF ＋0. 00078CCR ＋ 0. 00188TE- 0. 01647M,（ Q2cum= =0. 768 ,P = 0. 000001 ,R = 0. 9469 ）. The results showed that HOF, CCR and a are the dominant factors governing the anaerobic biodegradation of chlorophenols,and the effect of 1X^v,M and EE should not be ignored.