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Accueil > Séminaires

Deepak M. Kirpalani

In silico Screening of Sonochemical Degradation Pathways for Organic Acids in Water

jeudi 19 mars 2020, 14h

salle de conférences de l’observatoire
séminaire annulé

Deepak M. Kirpalani, Senior Research Scientist

Energy, Mining and Environment Research Centre, National Research Concil of Canada, Ottawa (Canada)

Résumé :

Driven by climate change and urbanization, water crises represent the greatest global risk in the coming decades. Treatment of contaminants in water with novel technologies developed through multi-scale modeling and validation is pivotal for technology acceptance. This presentation highlights the challenges and present several examples of work in the Kirpalani Group based on
sonochemistry and engineering strategies for addressing applications in water. In each case, process chemistry and changes in interfacial properties provide novel contaminant removal selectivity. Advances in sonochemistry, through density functional theory (DFT) of emerging contaminants, represent a powerful tool to address many of these challenges. To further illustrate the in silico approach, removal of Naphthenic acids (NAs), an organic acid contaminant in oil sands process affected water (OSPW) is chosen to demonstrate the mechanism of hydroxyl radical initiated degradation of NAs to complete re-mineralization.

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