Non‐physical Species in Chemical Kinetic Models: A Case Study of Diazenyl Hydroxy and Diazenyl Peroxide
Sign Up to like & getrecommendations! Published in 2022 at "Chemphyschem"
DOI: 10.1002/cphc.202200373
Abstract: Abstract Predictive chemical kinetic models often consider hundreds to thousands of intermediate species. An even greater number of species are required to generate pressure‐dependent reaction networks for gas‐phase systems. As this immense chemical search space… read more here.
Keywords: non physical; chemical kinetic; physical species; kinetic models ... See more keywords
An updated short chemical‐kinetic nitrogen mechanism for carbon‐free combustion applications
Sign Up to like & getrecommendations! Published in 2019 at "International Journal of Energy Research"
DOI: 10.1002/er.4891
Abstract: Chemical‐kinetic combustion mechanisms for hydrogen‐oxygen‐nitrogen systems, motivated originally by concerns about NOx emissions during hydrogen burning, have recently acquired renewed interest as a result of the possibility of employing ammonia‐hydrogen mixtures in gas turbines and… read more here.
Keywords: nitrogen; combustion; carbon; hydrogen ... See more keywords
A chemical kinetic model for the decomposition of perfluorinated sulfonic acids.
Sign Up to like & getrecommendations! Published in 2021 at "Chemosphere"
DOI: 10.1016/j.chemosphere.2020.128256
Abstract: Perfluorinated sulfonic acids (such as perfluorooctanesulfonic, PFOS, and short-chain analogues) are notorious halogenated pollutants that exhibit severe toxicity, even at minute levels. Limited number of experimental studies addressed their thermal decomposition at elevated temperatures. Such… read more here.
Keywords: perfluorinated sulfonic; sulfonic acids; model; chemical kinetic ... See more keywords
A chemical kinetic modeling study of indene pyrolysis
Sign Up to like & getrecommendations! Published in 2019 at "Combustion and Flame"
DOI: 10.1016/j.combustflame.2019.04.040
Abstract: Abstract An improved polycyclic aromatic hydrocarbon (PAH) model is developed to predict the decomposition of indene and the formation of large PAHs under pyrolytic conditions. This model is developed based on experimental study of pyrolytic… read more here.
Keywords: pah; pah growth; kinetic modeling; study ... See more keywords
Experimental study on laminar flame speeds and chemical kinetic model of 2,4,4-trimethyl-1-pentene
Sign Up to like & getrecommendations! Published in 2018 at "Fuel"
DOI: 10.1016/j.fuel.2018.05.011
Abstract: Abstract The laminar flame speeds for 2,4,4-trimethyl-1-pentene/air mixtures have been measured in a constant volume combustion bomb, at initial temperatures of 400 and 450 K, initial pressures of 0.1 and 0.3 MPa, and equivalence ratios from 0.6… read more here.
Keywords: trimethyl pentene; flame; laminar flame; model ... See more keywords
Chemical kinetic modeling of diethoxymethane oxidation: A carbon–neutral fuel
Sign Up to like & getrecommendations! Published in 2021 at "Fuel"
DOI: 10.1016/j.fuel.2021.120217
Abstract: Abstract Diethoxymethane (DEM) is a carbon–neutral fuel with high cetane number (57.3). A detailed chemical kinetic mechanism for DEM oxidation covering low and high temperature reactions is first developed in this work. The reaction scheme… read more here.
Keywords: carbon neutral; neutral fuel; temperature; mechanism ... See more keywords
Assessment of chemical kinetic models on hypersonic flow heat transfer
Sign Up to like & getrecommendations! Published in 2017 at "International Journal of Heat and Mass Transfer"
DOI: 10.1016/j.ijheatmasstransfer.2017.03.102
Abstract: Abstract The objective of this study is to assess the performance of chemical kinetic model for heat transfer acting on the hypersonic vehicle. Four different chemical kinetic models, including Dunn Kang model, Gupta model, Park… read more here.
Keywords: heat; kinetic models; chemical kinetic; heat transfer ... See more keywords
A revised chemical kinetic mechanism for methanol combustion in sub and supercritical water
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Supercritical Fluids"
DOI: 10.1016/j.supflu.2020.105023
Abstract: Abstract A revised detailed chemical kinetic mechanism for the combustion of methanol in sub and supercritical water was developed, which is accurate across a wide range of thermodynamic states relevant to hydrothermal combustion. Development was… read more here.
Keywords: mechanism; combustion; sub supercritical; supercritical water ... See more keywords
OntoKin: An Ontology for Chemical Kinetic Reaction Mechanisms
Sign Up to like & getrecommendations! Published in 2020 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.9b00960
Abstract: An ontology for capturing both data and the semantics of chemical kinetic reaction mechanisms has been developed. Such mechanisms can be applied to simulate and understand the behaviour of chemical processes, for example, the emission… read more here.
Keywords: methodology; ontology; kinetic reaction; reaction mechanisms ... See more keywords
Development of a Chemical-Kinetic Mechanism of a Four-Component Surrogate Fuel for RP-3 Kerosene
Sign Up to like & getrecommendations! Published in 2021 at "ACS Omega"
DOI: 10.1021/acsomega.1c03442
Abstract: RP-3 kerosene is the most widely used aviation kerosene in China, and research on its chemical-kinetic mechanism is significant for understanding the combustion characteristics. Based on a novel four-component surrogate fuel consisting of n-dodecane, 2,5-dimethylhexane,… read more here.
Keywords: mechanism; surrogate; surrogate fuel; kerosene ... See more keywords
Chemical and kinetic insights into the Thermal Decomposition of an Oxide Layer on Si(111) from Millisecond Photoelectron Spectroscopy
Sign Up to like & getrecommendations! Published in 2017 at "Scientific Reports"
DOI: 10.1038/s41598-017-14532-4
Abstract: Despite thermal silicon oxide desorption is a basic operation in semiconductor nanotechnology, its detailed chemical analysis has not been yet realized via time-resolved photoemission. Using an advanced acquisition system and synchrotron radiation, heating schedules with… read more here.
Keywords: analysis; oxide layer; chemical; chemical kinetic ... See more keywords