Removal of Mercury from Aqueous Solutions by Waste Brick

Mercury is one of the most toxic heavy metals present in aquatic systems,exhibiting a complex behaviour in the environment, where it may persist for decades after the source of pollution is stopped. Hence, it is important develop new techniques for its removal from the aquatic systems. In this context, a particularly promising line of research is the use of new materials capable of up taking mercury from aqueous systems. A new sorbent system for removing mercury (II) in presence of oleic acid, from aqueous solutions has been investigated. This new sorbent is waste crushed brick, obtained from local industries .Variables of the system include solution pH, sorbent dose and contact time. The adsorption isotherm data follow the Langmuir equation in which characteristic parameters was calculated. Waste crushed brick has a maximum mercury (II) removal capacity (87mg/g)

AM1 and DFT study of polarizability of nitrogen-containing octatetraene with donor substituents: Comparative investigation

AbstractWe report density functional theory (DFT) studies of the dipole polarizabilities of nitrogen-containing octatetraene with a number of Π-electron donor substituent at the end parts. All geometries were optimized at the B3LYP/6-311++G(d,p) level of theory and polarizabilities were done at the same level of theory. The results indicate that for the NO2–(CHCH)4–Y systems we find group polarizabilities in the order: N(Me)2>NBr2>OCH3>Br>NH2>OH>CH3>NF2>H∼F.Semi empirical AM1 and QSAR-quality empirical calculations show poor quantitative agreement with the DFT results, but give excellent statistical correlation coefficients with the DFT values. This implies that the results of such cheaper calculations can suitably scaled for predictive purpose

Abstracts of 1st International Conference on Computational & Applied Physics

This book contains the abstracts of the papers presented at the International Conference on Computational & Applied Physics (ICCAP’2021) Organized by the Surfaces, Interfaces and Thin Films Laboratory (LASICOM), Department of Physics, Faculty of Science, University Saad Dahleb Blida 1, Algeria, held on 26–28 September 2021. The Conference had a variety of Plenary Lectures, Oral sessions, and E-Poster Presentations. Conference Title: 1st International Conference on Computational & Applied PhysicsConference Acronym: ICCAP’2021Conference Date: 26–28 September 2021Conference Location: Online (Virtual Conference)Conference Organizer: Surfaces, Interfaces, and Thin Films Laboratory (LASICOM), Department of Physics, Faculty of Science, University Saad Dahleb Blida 1, Algeria