Archive:: World Journal of Applied Chemistry:: Science Publishing Group

Volume 2, Issue 1, February 2017

Molecular Dynamics Calculation on Mechanical Properties and Binding Energy of JOB-9003 Explosive at Different Temperatures

Guiyun Hang, Wenli Yu, Tao Wang, Zhen Li

Issue: Volume 2, Issue 1, February 2017

Pages: 1-6

Received: 1 November 2016

Accepted: 29 December 2016

Published: 20 January 2017

DOI: 10.11648/j.wjac.20170201.11

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Abstract: To research the effect of temperature on mechanical properties and binding energy of JOB-9003 explosive, the crystal model of JOB-9003 explosive was established by Materials Studio (MS). Molecular dynamics simulation was applied to investigate the mechanical properties and binding energy of explosive by COMPASS (condensed-phase optimized molecular ... Show More

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Studies on Chemical and Physical Properties of LiFeMPO₄ (M=Cu, La) by Polyol Route

Rasu Muruganantham, Marimuthu Sivakumar, Renganpillai Subadevi, Wei-Ren Liu

Issue: Volume 2, Issue 1, February 2017

Pages: 7-12

Received: 9 December 2016

Accepted: 23 December 2016

Published: 23 January 2017

DOI: 10.11648/j.wjac.20170201.12

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Abstract: Bare Lithium Iron Phosphate (LiFePO₄), Cu, La doped and Cu with La co-doped LiFePO₄ composite materials have been prepared via polyol technique without further post heat treatment. The prepared bare and composite materials’ crystalline structure has been indexed an orthorhombic phase olivine structure with space group of Pnma. The functional group ... Show More

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Characterization and Geochemical Modeling of Cu and Zn Sorption Using Mineral Systems Injected with Iron Sulfide: Case Study of Mine Waste Water, Wales, United Kingdom

Davidson Egirani, Napoleon Wessey, Shukla Acharjee

Issue: Volume 2, Issue 1, February 2017

Pages: 13-23

Received: 27 November 2016

Accepted: 24 December 2016

Published: 3 February 2017

DOI: 10.11648/j.wjac.20170201.13

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Abstract: Sorption of Cu and Zn was investigated using single and mixed mineral systems under sulfidic-anoxic condition to treat wastewater obtained from disused mine pits at Parys Mountain in, United Kingdom. Water courses are the recipients of these contaminants. In these water courses fishing activities exist. Attempt was made to reduce the Cu and Zn leve... Show More

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Kinetics and Mechanistic Studies of Oxidation of a Ternary Nitrilotri-Acetatocobalt(II) Complexes Involving DL-valine and DL-aspartic Acid as a Secondary Ligands by Periodate

Ahmed A. Abdel-Khalek, Hassan A. Ewais, Eman S. H. Khaled, Abeer A. Atia

Issue: Volume 2, Issue 1, February 2017

Pages: 24-33

Received: 25 October 2016

Accepted: 9 December 2016

Published: 2 March 2017

DOI: 10.11648/j.wjac.20170201.14

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Abstract: Oxidation of ternary complexes, [Co^II (NTA)(L)(H₂O)_X]^-n by periodate in aqueous medium has been studied spectrophotometrically over the (25.0 – 45.0) ± 0.1°C range. The reaction show first order kinetics with respect to both [IO4^-] and the complexes, and the rate of the reaction increases over the [H⁺] range (1.05 – 28.20) x 10^-5 mol dm^-3 in both c... Show More

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