Title :
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
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;
Conference_Titel :
Environmental Science and Information Application Technology (ESIAT), 2010 International Conference on
Conference_Location :
Wuhan
Print_ISBN :
978-1-4244-7387-8
DOI :
10.1109/ESIAT.2010.5568388
