Person

Jeremy Samuel Arey

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Related publications (61)

Molecular mechanism of NDMA formation from N,N-dimethylsulfamide during ozonation: Quantum chemical insights into a bromide-catalyzed pathway

Urs von Gunten, Jeremy Samuel Arey, Daniela Trogolo, Michèle Bernadette Heeb, Brijesh Kumar Mishra

During ozonation of drinking water, the fungicide metabolite NN-dimethyIsulfamide (DMS) can be transformed into a highly toxic product, N-nitrosodimethylamine (NDMA). We used quantum chemical computations and stopped-flow experiments to evaluate a chemical ...

Amer Chemical Soc2015

Explicit solvent simulations of the aqueous oxidation potential and reorganization energy for neutral molecules: Gas phase, linear solvent response, and non-linear response contributions

Jeremy Samuel Arey, Peter Rudolf Tentscher, Marianne Seijo, Jennifer Guerard

First principles simulations were used to predict aqueous one-electron oxidation potentials (E-ox) and associated half-cell reorganization energies (lambda(aq)) for aniline, phenol, methoxybenzene, imidazole, and dimethylsulfide. We employed quantum mechan ...

Royal Soc Chemistry2015

First principles computational chemistry predictions of equilibrium and kinetic constants for electrophilic reactions in water

Jeremy Samuel Arey, Peter Rudolf Tentscher, Daniela Trogolo

Aqueous electrophilic reactions are broadly important in environmental chemistry, but the thermodynamic equilibrium constants, rate constants, and mechanisms describing these reactions are often difficult to determine by experiment. Here we report on our e ...

2015

Predicting aqueous speciation of environmentally relevant halogen oxidants: chloramines, bromamines, and bromochloramines

Jeremy Samuel Arey, Daniela Trogolo

Chloramines, bromamines, and bromochloramines are halogen-containing oxidants that arise from the reaction between ammonia and hypohalous acids during the disinfection of drinking and wastewaters. Although involved in the formation of toxic disinfection by ...

2015

Analyte quantification with Comprehensive Two-Dimensional Gas Chromatography: Assessment of methods for baseline correction, peak delineation, and matrix effect elimination for real samples

Jeremy Samuel Arey, Jonas Gros, Saer Samanipour, Petros Dimitriou Christidis, Auréline Grange

Comprehensive two-dimensional gas chromatography (GC x GC) is used widely to separate and measure organic chemicals in complex mixtures. However, approaches to quantify analytes in real, complex samples have not been critically assessed. We quantified 7 PA ...

Elsevier2015

Controlling Factors in the Rates of Oxidation of Anilines and Phenols by Triplet Methylene Blue in Aqueous Solution

Jeremy Samuel Arey, Jennifer Guerard

Anilines and phenols are structurally similar compound classes that both are susceptible to oxidation by excited state triplet sensitizers but undergo oxidation by different mechanisms. To gain an understanding of the factors that control the rate of oxida ...

American Chemical Society2015

Predicting the state and properties of Deepwater Horizon oil under pressure using the Peng-Robinson equation of state

Jeremy Samuel Arey, Jonas Gros

Being able to estimate the partitioning behavior of the live oil mixture between a gas and a hydrocarbon liquid phase is crucial for valid modeling of the behavior of the emitted fluid. Equations of state are a well-known way to estimate the phase partitio ...

2015

Validating formulas for the prediction of ascent speed and mass transfer coefficient for liquid oil droplets and gas bubbles under pressure

Jeremy Samuel Arey, Jonas Gros

Several different formulas exist to predict the ascent speed of gas bubbles and oil droplets released in deep waters. Similarly, different formulas are also available to predict the mass transfer coefficient of compounds dissolving into water during ascent ...

2015

Spatial extent and ecotoxicological risk assessment of a micropollutant-contaminated wastewater plume in Lake Geneva

Tamar Kohn, Jeremy Samuel Arey, Florence Bonvin, Yosef Akhtman, Rebecca Rutler, Auréline Grange, Lorenzo Martelletti

In this study, the spatial extent of a wastewater-influenced water mass originating from a wastewater treatment plant outlet in Vidy Bay (Lake Geneva) was monitored by two manned submersibles from June to August 2011. The main goal was to assess whether mi ...

Springer Verlag2014

Into the abyss of Lake Geneva: the elemo interdisciplinary field investigation using the MIR submersibles

Alfred Johny Wüest, Ulrich Lemmin, Jeremy Samuel Arey

In summer 2011, the two Russian MIR submersibles were brought to Switzerland to perform deep water dives in Lake Geneva. Research teams from several environmental science institutes, both national and international, participated in this interdisciplinary e ...

Springer Verlag2014

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