Simulating the aqueous dissolution of petroleum emitted into the Gulf of Mexico during the 2010 Deepwater Horizon disaster
Publications associées (36)
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Dynamical potentials appear in many advanced electronic-structure methods, including self-energies from many-body perturbation theory, dynamical mean-field theory, electronic-transport formulations, and many embedding approaches. Here, we propose a novel t ...
With the expansion of offshore petroleum extraction, validated models are needed to simulate the behaviors of petroleum compounds released in deep (>100 m) waters. We present a thermodynamic model of the densities, viscosities, and gas-liquid-water partiti ...
We investigate the minus-sign problem that afflicts quantum Monte Carlo (QMC) simulations of frustrated quantum spin systems, focusing on spin S = 1/2, two spatial dimensions, and the extended Shastry-Sutherland model. We show that formulating the Hamilton ...
Anthropogenic releases of petroleum fluids, which contain thousands of compounds, represent a threat to marine environments. However, there was a lack of models able to explain the independent behaviors of the numerous compounds of a spilled petroleum flui ...
With the expansion of offshore petroleum exploration and extraction activities, validated models are needed to simulate the behaviors of petroleum compounds released in deep (>100 m) waters. We developed a thermodynamic model of the gas-liquid-water partit ...
The amount of reacted metakaolin is determined using two methods: mass balance and thermodynamic modeling. It is found that mass balance is the most promising method. Thermodynamic modeling gives slightly underestimated results at late ages. ...
With the expansion of offshore petroleum extraction, validated models are needed to simulate the behaviors of petroleum compounds released in deep (>100 m) waters. We present a thermodynamic model of the densities, viscosities, and gas–liquid−water partiti ...
2016
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Ammonium is one of the dominant inorganic water-soluble ions in fine particulate matter (PM2.5). In this study, source apportionment and thermodynamic equilibrium models were used to analyze the relationship between pH and the partitioning of ammonium (eps ...
AMER CHEMICAL SOC2020
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Overprediction of fine-particle ammonium-sulfate molar ratios (R) by thermodynamic models is suggested as evidence for interactions with organic constituents that inhibit the equilibration of gas-phase ammonia with aerosol sulfate and questions the equilib ...
2018
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The GP(I) zone formation during quench is simulated in an industrial Aluminumalloy AA7449 75mmthick plate by using a multi-class precipitation model. For this purpose, results of in situ SAXS experiments are reported. A methodology is presented that takes ...