Estimation of persistent organic pollutants´ environmental parameters by using molecular topological index

Author

Mou, Xin-li ; Zhao, Jing ; Yan Wang ; Qi, Yan Wang Jun-sheng ; Fu, Chuan

Author_Institution

Sch. of Chem. & Environ. Eng., Chongqing Three Gorges Univ., Chongqing, China

Volume

3

fYear

2010

fDate

17-18 July 2010

Firstpage

149

Lastpage

152

Abstract

Based on the molecular structure topological index Bm1, Bm2, Bm3, with 14 kinds of persistent organic compounds of environmental parameters associated with LgKoc, LgKow and LgKoA using MATLAB software to multiple linear regressions was fitted regression equation. The use of multiple linear regression test of significance, results show that the equation is significant. Estimations are well coincident with the Persistent Organic Pollutants properties. Therefore, the environmental parameters estimated by the use of molecular topological index could provide a reference to the property of several similar materials in the future.

Keywords

chemical engineering computing; environmental science computing; molecular configurations; organic compounds; parameter estimation; pollution; regression analysis; molecular structure topological index; multiple linear regression test; persistent organic pollutants environmental parameters estimation; Carbon; Indexes; Organic compounds; Software; Tiles; Dioxin; Environmental Parameters; Estimation; Persistent Organic Pollutants; molecular topological indexes;

fLanguage

English

Publisher

ieee

Conference_Titel

Environmental Science and Information Application Technology (ESIAT), 2010 International Conference on

Conference_Location

Wuhan

Print_ISBN

978-1-4244-7387-8

Type

conf

DOI

10.1109/ESIAT.2010.5568388

Filename

5568388