DFT Calculations on Dimethylarsinic Acid and Iron Oxide Clusters - What Density Functional Theory can tell us about the environmental remediation of a harmful herbicide

Dimethylarsinic Acid (DMA) is an important arsenic compound that was used historically as a herbicide on large agricultural fields, is detected in leachates of landfills and biologically pre-treated municipal solid waste. Under certain soil conditions DMA has the potential to be transformed into more toxic inorganic forms of arsenic and become bio-available depending on its interactions with various soil components. Theoretical calculations can help shine a light on the interactions between such pollutants and ubiquitous components of soil.

About the author

Adrian Adamescu studied Chemistry and Mathematics at Wilfrid Laurier University and the University of Waterloo, in Waterloo, Ontario, Canada and is now pursuing a PhD in Chemistry.

Product details

• Authors: Adrian Adamescu
• Publisher: LAP Lambert Academic Publishing
• Languages: English, German
• Product format: Paperback / Softback
• Released: 01.01.2012
• EAN: 9783838370484
• ISBN: 978-3-8383-7048-4
• No. of pages: 92
• Subject: Natural sciences, medicine, IT, technology > Chemistry > Theoretical chemistry