Person
Daniela Trogolo
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Related publications (10)
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Gas-Phase Ozone Reactions with a Structurally Diverse Set of Molecules: Barrier Heights and Reaction Energies Evaluated by Coupled Cluster and Density Functional Theory Calculations
Jeremy Samuel Arey, Peter Rudolf Tentscher, Daniela Trogolo
Reactions with ozone transform organic and inorganic molecules in water treatment systems as well as in atmospheric chemistry, either in the aqueous phase, at gas/particle interfaces, or in the gas phase. Computed thermokinetic data can be used to estimate ...
AMER CHEMICAL SOC2019Equilibria and Speciation of Chloramines, Bromamines, and Bromochloramines in Water
Jeremy Samuel Arey, Daniela Trogolo
The stabilities and speciation of the halamines in water are difficult to characterize experimentally. We provide theoretical estimates of aqueous standard free energies of formation for inorganic chloramines, bromamines, and bromochloramines, based on hig ...
Amer Chemical Soc2017Formation and reactivity of inorganic and organic chloramines and bromamines during oxidative water treatment
Urs von Gunten, Jeremy Samuel Arey, Daniela Trogolo, Michèle Bernadette Heeb
The formation and further reactions of halamines during oxidative water treatment can be relevant for water quality. In this study, we investigated the formation and reactivity of several inorganic and organic halamines (monochloramine, N-chloromethylamine ...
Elsevier2017