Asemi-empirical study of the adsorption of some organic pollutants on modified Iraqi clays
Other Title(s)
دراسة شبه التجريبية لامتزاز بعض الملوثات العضوية على الأطيان العراقية المحسنة
Joint Authors
al-Sadi, Khulud Abd Salih
al-Ani, Huda Najm al-Din Abd al-Latif
Source
Issue
Vol. 13, Issue 2 (30 Jun. 2016), pp.352-361, 10 p.
Publisher
University of Baghdad College of Science for Women
Publication Date
2016-06-30
Country of Publication
Iraq
No. of Pages
10
Main Subjects
Earth Sciences, Water and Environment
Topics
Abstract EN
In this work semi–empirical method (PM3) calculations are carried out by (MOPAC) computational packages have been employed to calculate the molecular orbital's energies for some organic pollutants.
The long– chain quaternary ammonium cations called Iraqi Clays (Bentonite – modified) are used to remove these organic pollutants from water, by adding a small cationic surfactant so as to result in floes which are agglomerates of organobentonite to remove organic pollutants.
This calculation which suggests the best surface active material, can be used to modify the adsorption efficiency of aniline , phenol, phenol deriviatives, Tri methyl glycine, ester and pecticides , on Iraqi Clay (bentonite) by comparing the theoretical results with experimental results achived in previous experimental studies between some organic pollutants and modified bentonite by (1- Hexadecyl pyridinium bromide) (HDPYBr).
The theoretical calculation is made by using three surface active materials [1- (Hexadecyl pyridinium bromide) (HDPYBr), (1,12- Dipyridiniododecane dibromide) (DPYDDBr2) and Hexadecyl trimethyl ammonium bromide (HDTMA)].
Using (HDTMA) leads to the best adsorption efficiency for most pollutants involved in this study.
The enthalpy of formations, dipole and energy of molecular orbitale HOMO and LUMO energies levels are calculated for all pollutants and the three surface active materials
American Psychological Association (APA)
al-Sadi, Khulud Abd Salih& al-Ani, Huda Najm al-Din Abd al-Latif. 2016. Asemi-empirical study of the adsorption of some organic pollutants on modified Iraqi clays. Baghdad Science Journal،Vol. 13, no. 2, pp.352-361.
https://search.emarefa.net/detail/BIM-695047
Modern Language Association (MLA)
al-Sadi, Khulud Abd Salih& al-Ani, Huda Najm al-Din Abd al-Latif. Asemi-empirical study of the adsorption of some organic pollutants on modified Iraqi clays. Baghdad Science Journal Vol. 13, no. 2 (2016), pp.352-361.
https://search.emarefa.net/detail/BIM-695047
American Medical Association (AMA)
al-Sadi, Khulud Abd Salih& al-Ani, Huda Najm al-Din Abd al-Latif. Asemi-empirical study of the adsorption of some organic pollutants on modified Iraqi clays. Baghdad Science Journal. 2016. Vol. 13, no. 2, pp.352-361.
https://search.emarefa.net/detail/BIM-695047
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references : p. 360-361
Record ID
BIM-695047