Concept

Réaction nucléaire

Publications associées (211)

Modeling and optimization of an industrial ammonia synthesis unit: An exergy approach

An exergy modeling and optimization of an industrial ammonia unit based on steam methane reforming (SMR) process is presented. The base-case unit produces about 1000 t NH3/day [1], as well as power and steam, with no auxiliary exergy use. Some critical ope ...

2017

Synthetic neutron camera and spectrometer in JET based on AFSI- ASCOT simulations

Henri Weisen

The ASCOT Fusion Source Integrator (AFSI) has been used to calculate neutron production rates and spectra corresponding to the JET 19-channel neutron camera (KN3) and the time-of-flight spectrometer (TOFOR) as ideal diagnostics, without detector-related ef ...

Iop Publishing Ltd2017

Understanding the interplay between the solvent and nuclear rearrangements in the negative solvatochromism of a push-pull flexible quinolinium cation

Oliviero Cannelli

A detailed computational characterization of the one-photon absorption spectrum of a 2-((E)-2-[ 2,2']-bithiophenyl-5-yl-vinyl)-1-methyl-quinolinium cation in acetonitrile solution is presented. The main physico-chemical effects (solvation, vibronic progres ...

Royal Soc Chemistry2017

Mechanical Stress Combined with Alloying May Allow Continuous Control Over Reactivity: Strain Effects on CO Dissociation and Subsequent Methanation Catalysis over Ni(211), Ni3Fe(211), and NiFe(112)

William Curtin, Michael Frederick Francis

Mechanical stress combined with alloying as controlled by CO dissociation is investigated for the control of methanation activity. CO dissociation over strained Ni(211), Ni3Fe(211), and NiFe(112) is investigated. A continuous 0.62 eV range of CO reaction e ...

Amer Chemical Soc2017

Delineating the Mechanism of Ionic Liquids in the Synthesis of Quinazoline-2,4(1H,3H)-dione from 2-Aminobenzonitrile and CO2

Paul Joseph Dyson, Gabor Laurenczy, Martin Hulla, Shoubhik Das, Sami Manoubi Armand Chamam

Ionic liquids (ILs) are versatile solvents and catalysts for the synthesis of quinazoline-2,4-dione from 2-aminobenzonitrile and CO2. However, the role of the IL in this reaction is poorly understood. Consequently, we investigated this reaction and showed ...

Wiley-Blackwell2017

Base-Free Transfer Hydrogenation with an Ionic-Liquid-Supported Ruthenium eta(6)-Arene Bis(pyrazolyl)methane Catalyst

Paul Joseph Dyson, Francisco Sepulveda, Andrew Douglas Phillips

Ruthenium complexes of the type [RuCl(eta(6)-arene)-(NN)]X (X = BF4 or BPh4) featuring an eta(6)-arene ligand modified with an imidazolium ring and incorporating the bis(azo) chelating (NN) ligands 2-hydroxyphenylbis(3,5-dimethylpyrazol-1-yl) methane or 2- ...

Wiley-Blackwell2017

Reconstruction of biological pathways and metabolic networks from in silico labeled metabolites

Vassily Hatzimanikatis, Jasmin Maria Hafner, Noushin Hadadi, Keng Cher Soh

Reaction atom mappings track the positional changes of all of the atoms between the substrates and the products as they undergo the biochemical transformation. However, information on atom transitions in the context of metabolic pathways is not widely avai ...

Wiley-V C H Verlag Gmbh2017

Surface lattice dynamics and electron-phonon interaction in cesium ultra-thin films

Davide Campi

The phonon dispersion curves of ultrathin films of Cs(110) on Pt(111) measured with inelastic helium atom scattering (HAS) are reported and compared with density-functional perturbation theory (DFPT) calculations. The combined HAS and DFPT analysis also sh ...

Royal Soc Chemistry2017

Importance of rotationally inelastic processes in low-energy Penning ionization of CHF3

Andreas Osterwalder, Justinas Jankunas

Low energy reaction dynamics can strongly depend on the internal structure of the reactants. The role of rotationally inelastic processes in cold collisions involving polyatomic molecules has not been explored so far. Here we address this problem performin ...

American Institute of Physics2016

Assessment of Neutron Production in Neutral Beam Injector of TCV Tokamak

Alexander Karpushov

Neutral beam (NB) injector for the TCV tokamak has been designed to produce a deuterium beam with energy 30 keV, equivalent current up to 50 A, and pulse duration 2 s. The injector operation is accompanied by generation of fast neutrons produced in deuteri ...

Amer Inst Physics2016

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