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Concept

Ammoniaque

Publications associées (26)

Nuclear Quantum Effects in Sodium Hydroxide Solutions from Neural Network Molecular Dynamics Simulations

Michele Ceriotti

Nuclear quantum effects (NQEs) cause the nuclei of light elements like hydrogen to delocalize, affecting numerous properties of water and aqueous solutions, such as hydrogen-bonding and proton transfer barriers. Here, we address the prototypical case of aq ...

2018

Four-electron Reduction and Functionalization of N₂ by a Uranium(III) Bridging Nitride

Marinella Mazzanti, Marta Falcone

N2 is a cheap and widely available but very unreactive molecule. Notably, the only industrial process for the conversion of dinitrogen is the Haber-Bosch process to form ammonia, but under very harsh conditions (high temperature and pressure). Here, we rev ...

2018

Nitrogen reduction and functionalization by a multimetallic uranium nitride complex

Rosario Scopelliti, Marinella Mazzanti, Ivica Zivkovic, Lucile Sylvie Danielle Chatelain, Marta Falcone

Molecular nitrogen (N-2) is cheap and widely available, but its unreactive nature is a challenge when attempting to functionalize it under mild conditions with other widely available substrates (such as carbon monoxide, CO) to produce value-added compounds ...

2017

Ammonia toxicity: from head to toe?

Peter Ott, Veronika Rackayová

Ammonia is diffused and transported across all plasma membranes. This entails that hyperammonemia leads to an increase in ammonia in all organs and tissues. It is known that the toxic ramifications of ammonia primarily touch the brain and cause neurologica ...

Springer Verlag2017

Orientational ordering of water in extended hydration shells of cations is ion-specific and is correlated directly with viscosity and hydration free energy

Sylvie Roke, Yixing Chen, Halil Ibrahim Okur, Chung-Wen Liang

Specific ion effects in aqueous solutions are investigated at the molecular, nanoscopic and macroscopic levels. Femtosecond elastic second harmonic scattering (fs-ESHS) is used here to assess the chemical effects of ions on molecular and nanoscopic length ...

2017

Reaction extents: A Divide-and-Conquer Approach for Kinetic Model Identification

Dominique Bonvin, Julien Léo Billeter

Obtaining reliable wastewater treatment process models is critical for the application of model-based design, operation, and automation. For example, Masic et al. (2014) explored the use of an observer designed for nonlinear processes to estimate nitrite i ...

2017