Stimuli‐Directed Dynamic Reconfiguration in Self‐Organized Helical Superstructures Enabled by Chemical Kinetics of Chiral Molecular Motors
Sign Up to like & getrecommendations! Published in 2018 at "Advanced Science"
DOI: 10.1002/advs.201700613
Abstract: Abstract Dynamic controllability of self‐organized helical superstructures in spatial dimensions is a key step to promote bottom‐up artificial nanoarchitectures and functional devices for diverse applications in a variety of areas. Here, a light‐driven chiral overcrowded… read more here.
Keywords: self organized; stimuli directed; helical superstructures; chemical kinetics ... See more keywords
The Euler T and Lambert W functions in mechanistic radiobiological models with chemical kinetics for repair of irradiated cells
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Mathematical Chemistry"
DOI: 10.1007/s10910-018-0932-3
Abstract: Recently, the Euler T and Lambert W transcendental functions found useful applications in cellular radiobiology. Specifically, these functions appeared in mathematical modeling of cell survival after irradiation using the formalism of chemical kinetics. An example… read more here.
Keywords: radiobiological models; euler lambert; chemical kinetics; mechanistic radiobiological ... See more keywords
Chemical kinetics study of 1,3-butadiene + HȮ2; implications for combustion modeling and simulation
Sign Up to like & getrecommendations! Published in 2020 at "Combustion and Flame"
DOI: 10.1016/j.combustflame.2020.07.033
Abstract: Abstract Detailed reaction kinetics for the system of 1,3-butadiene + hydroperoxyl radical (HȮ2) and its application in combustion modeling have been investigated in this work. Zero-point energy (ZPE) corrected potential energy surfaces (PESs) for the title reactions… read more here.
Keywords: temperature; kinetics study; chemical kinetics; combustion ... See more keywords
An ultrafast multi-zone HCCI model with Autoignition, Global reaction and Interpolation (AGI) for achieving comparable accuracy to detailed chemical kinetics models
Sign Up to like & getrecommendations! Published in 2020 at "Combustion and Flame"
DOI: 10.1016/j.combustflame.2020.08.016
Abstract: Abstract Homogeneous Charge Compression Ignition (HCCI) is a promising advanced combustion technology with high thermal efficiencies and low exhaust emissions, and thus, is a potential solution for future transportation applications. Quasi-dimensional multi-zone models with detailed… read more here.
Keywords: chemical kinetics; model; chemical; interpolation ... See more keywords
An experimental and modeling study of ammonia pyrolysis
Sign Up to like & getrecommendations! Published in 2021 at "Combustion and Flame"
DOI: 10.1016/j.combustflame.2021.111694
Abstract: Abstract Ammonia (NH3) is a promising carbon-free fuel and a hydrogen carrier. In recent years, there has been a large number of experimental and numerical studies to understand the chemical kinetics of NH3 in moderate… read more here.
Keywords: literature; mechanism; chemical kinetics; pyrolysis ... See more keywords
Modelling of spray and combustion processes by using the Eulerian multiphase approach and detailed chemical kinetics
Sign Up to like & getrecommendations! Published in 2017 at "Fuel"
DOI: 10.1016/j.fuel.2016.11.051
Abstract: Abstract This research deals with computational modelling of non-reactive and reactive turbulent spray processes. The spray process is modelled using the Euler Eulerian multiphase approach together with a size-of-classes model where the discrete phase is… read more here.
Keywords: chemical kinetics; combustion; multiphase approach; eulerian multiphase ... See more keywords
Probing the Chemical Kinetics of Minimalist Functional Group Gasoline Surrogates
Sign Up to like & getrecommendations! Published in 2021 at "Energy & Fuels"
DOI: 10.1021/acs.energyfuels.0c02815
Abstract: Surrogate mixtures are routinely used for understanding gasoline fuel combustion in engine simulations. The general trend in surrogate formulation has been to increase the number of fuel components... read more here.
Keywords: minimalist functional; chemical kinetics; kinetics minimalist; functional group ... See more keywords
Characteristics of Methanol Hydrothermal Combustion: Detailed Chemical Kinetics Coupled with Simple Flow Modeling Study
Sign Up to like & getrecommendations! Published in 2017 at "Industrial & Engineering Chemistry Research"
DOI: 10.1021/acs.iecr.7b00886
Abstract: Hydrothermal flame is a promising solution for problems in the preheating process of supercritical water oxidation (SCWO) technology. A detailed chemical kinetics coupled with a simple flow model is developed and validated to reflect the… read more here.
Keywords: coupled simple; kinetics coupled; flame; chemical kinetics ... See more keywords
Exploring Chemical Kinetics at Home in Times of Pandemic: Following the Bleaching of Food Dye Allura Red Using a Smartphone
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Chemical Education"
DOI: 10.1021/acs.jchemed.0c01427
Abstract: In this communication, a remote experimental activity in chemical kinetics is described, taking into account the quantification based on the optical sensor of a smartphone. The objective pursued herein is to equip students with the… read more here.
Keywords: smartphone; chemical kinetics; dye allura; food dye ... See more keywords
Improving Student Results in the Crystal Violet Chemical Kinetics Experiment
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Chemical Education"
DOI: 10.1021/acs.jchemed.6b00408
Abstract: Despite widespread use in general chemistry laboratories, the crystal violet chemical kinetics experiment frequently suffers from erroneous student results. Student calculations for the reaction order in hydroxide often contain large asymmetric errors, pointing to the… read more here.
Keywords: violet chemical; student results; chemical kinetics; chemical ... See more keywords
Some Considerations on the Fundamentals of Chemical Kinetics: Steady State, Quasi-Equilibrium, and Transition State Theory.
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Chemical Education"
DOI: 10.1021/acs.jchemed.6b00957
Abstract: The elementary reaction sequence A ⇄ I → Products is the simplest mechanism for which the steady-state and quasi-equilibrium kinetic approximations can be applied. The exact integrated solutions for this chemical system allow inferring the… read more here.
Keywords: state; state quasi; chemical kinetics; steady state ... See more keywords