Chemical Reactions Between Fe and H 2 O up to Megabar Pressures and Implications for Water Storage in the Earth's Mantle and Core
Sign Up to like & getrecommendations! Published in 2018 at "Geophysical Research Letters"
DOI: 10.1002/2017gl075720
Abstract: We investigated the phase relations of the Fe-H2O system at high pressures based on in situ X-ray diffraction experiments and first-principles calculations and demonstrate that FeHx and FeO are present at pressures less than ~78… read more here.
Keywords: water; pressures implications; chemical reactions; megabar pressures ... See more keywords
Overreact, an in silico lab: Automative quantum chemical microkinetic simulations for complex chemical reactions.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of computational chemistry"
DOI: 10.1002/jcc.26861
Abstract: Today's demand for precisely predicting chemical reactions from first principles requires research to go beyond Gibbs' free energy diagrams and consider other effects such as concentrations and quantum tunneling. The present work introduces overreact, a… read more here.
Keywords: chemistry; overreact silico; chemical reactions; gas phase ... See more keywords
Editorial: Chemical Reactions Mining
Sign Up to like & getrecommendations! Published in 2022 at "Molecular Informatics"
DOI: 10.1002/minf.202200044
Abstract: (a) how (b) under which conditions a given reaction should be carried out, (c) what is estimated rate/yield/selectivity of a given reaction under given conditions, (d) how one can design molecules with controlled synthetic accessibility,… read more here.
Keywords: reactions mining; editorial chemical; chemical reactions;
Dish-like higher-ordered palladium nanostructures through metal ion-ligand complexation
Sign Up to like & getrecommendations! Published in 2018 at "Nano Research"
DOI: 10.1007/s12274-018-1993-0
Abstract: Unlike nucleation and growth in simple precipitation processes, described by the classical theory, metal nanoparticles formed in organic solvents with capping ligands often involve chemical reactions that occur homogeneously in solution or heterogeneously on the… read more here.
Keywords: dish like; higher ordered; palladium; ligand ... See more keywords
Plasmon-generated hot holes for chemical reactions
Sign Up to like & getrecommendations! Published in 2020 at "Nano Research"
DOI: 10.1007/s12274-020-3031-2
Abstract: Plasmonic nanostructures have been widely used for photochemical conversions due to their unique and easy-tuning optical properties in visible and near-infrared range. Compared with the plasmon-generated hot electrons, the hot holes usually have a shorter… read more here.
Keywords: holes chemical; plasmon generated; chemical reactions; generated hot ... See more keywords
Effect of Chemical Reactions on the Fluidic Thrust Vectoring of a Plane Nozzle
Sign Up to like & getrecommendations! Published in 2020 at "Arabian Journal for Science and Engineering"
DOI: 10.1007/s13369-020-04350-8
Abstract: During the last years, several thrust control systems of aerospace rocket engines have been developed. The fluidic thrust vectoring is one of them; it is simple in design and offers a substantial gain in weight… read more here.
Keywords: gas; effect; fluidic thrust; chemical reactions ... See more keywords
Chemical reactions in the pyrolysis of brown grease
Sign Up to like & getrecommendations! Published in 2017 at "Fuel"
DOI: 10.1016/j.fuel.2017.06.101
Abstract: Abstract Brown grease breaks down into a mixture of alkanes and alkenes at temperatures above 300 °C without addition of hydrogen or an external catalyst. To better understand the reactions in this process, pyrolysis experiments were… read more here.
Keywords: grease; pyrolysis brown; fatty acids; reactions pyrolysis ... See more keywords
The effect of the stages of chemical reactions on the composition of the products formed under a dynamic thermal explosion of the mixtures of aluminium and nickel powders
Sign Up to like & getrecommendations! Published in 2021 at "International Communications in Heat and Mass Transfer"
DOI: 10.1016/j.icheatmasstransfer.2021.105489
Abstract: Abstract The paper is the first to propose the mathematical model of the process of intermetalliс composite synthesis in the mode of dynamic thermal explosion taking into account the stages of chemical reactions, the rate… read more here.
Keywords: stages chemical; chemical reactions; thermal explosion; dynamic thermal ... See more keywords
On reactive thin liquid films falling down a vertical cylinder
Sign Up to like & getrecommendations! Published in 2020 at "International Journal of Heat and Mass Transfer"
DOI: 10.1016/j.ijheatmasstransfer.2019.118942
Abstract: Abstract Chemical reactions in thin liquid films falling down vertical cylinders are widely present in various industrial settings, such as in combustion chambers of internal combustion engines. However, the effect of chemical reactions, especially the… read more here.
Keywords: thin liquid; liquid films; films falling; cylinder ... See more keywords
Droplet-based flows in serpentine microchannels: Chemical reactions and secondary flows
Sign Up to like & getrecommendations! Published in 2017 at "International Journal of Multiphase Flow"
DOI: 10.1016/j.ijmultiphaseflow.2017.08.010
Abstract: Abstract Mixing is an essential operation in many microfluidic devices. Droplet-based micromixers utilize droplets for mixing enhancement. In the present study, a novel three-dimensional simulation is conducted which has the ability to capture not only… read more here.
Keywords: based flows; rate; droplet based; secondary flows ... See more keywords
NMR of petrochemical-type chemical reactions.
Sign Up to like & getrecommendations! Published in 2019 at "Journal of magnetic resonance"
DOI: 10.1016/j.jmr.2019.106665
Abstract: A simple technique is presented for NMR of chemically reacting systems at conditions of high temperature and pressure. The method can follow reactions that are typical of refinery operations - hydrogenation, transfer dehydrogenation, methanol synthesis,… read more here.
Keywords: temperature; type chemical; nmr petrochemical; petrochemical type ... See more keywords