A theoretical investigation into the application of nanoscale zero valent iron for groundwater contaminant removal
Jessica White, Yun Wang Griffith University, Australia
Nanoscale zero-valent iron (nZVI) is gaining popularity as a remediation material for contaminant groundwater. Unfortunately, nZVI has a short reactive life-time due to being easily oxidised by water 1 . To address this challenge, sulfidated nZVI (S-nZVI) is gaining interest to hinder the water and Fe interaction 2 . This study consists of two phases, using computational chemistry. The first phase of the research focuses on the investigation of S-nZVI, drawing a comparison of the water interaction with the plain nZVI. In the second phase the remediation of common chlorinated organic compounds (cis-DCE, PCE and TCE) are investigated with a comparison between the nZVI and S-nZVI. This analysis will provide insights into the factors influencing different products and removal efficiency of chlorinated organic compounds in groundwater. References 1. Jessica Jein White, Jack Jon Hinsch, William W. Bennett, Yun Wang, Theoretical understanding of water adsorption on stepped iron surfaces, Applied Surface Science , Volume 605, 2022, 154650, https://doi.org/10.1016/j.apsusc.2022.154650 2. Jessica Jein White , Jack Jon Hinsch, Zhenzhen Wu, Yuhui Tian, William W. Bennett, Yun Wang, Sulfidation Impacts on the Hydrophobicity of Stepped Iron Surfaces, Advanced Energy and Sustainability Research , 2023, 2300055, https://doi. org/10.1002/aesr.202300055
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© The Author(s), 2023
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