相关论文: Formation of aromatics in rich methane flames dope…
For a better modeling of the importance of the different channels leading to the first aromatic ring, we have compared the structures of laminar rich premixed methane flames doped with several unsaturated hydrocarbons: allene and propyne,…
The structure of three laminar premixed rich flames has been investigated: a pure methane flame and two methane flames doped by allene and propyne, respectively. The gases of the three flames contain 20.9% (molar) of methane and 33.4% of…
In line with the study presented in the part I of this paper, the structure of a laminar rich premixed methane flame doped with 1,3-butadiene has been investigated. The flame contains 20.7% (molar) of methane, 31.4% of oxygen and 3.3% of…
In line with the studies presented in the parts I and II of this paper, the structure of a laminar rich premixed methane flame doped with cyclopentene has been investigated. The gases of this flame contains 15.3% (molar) of methane, 26.7%…
To better understand the chemistry involved during the combustion of components of diesel fuel, the structure of a laminar lean premixed methane flame doped with n-butylbenzene has been investigated. The inlet gases contained 7.1% (molar)…
The structure of a laminar rich premixed 1,3-C4H6/CH4/O2/Ar flame have been investigated. 1,3-Butadiene, methane, oxygen and argon mole fractions are 0.033; 0.2073; 0.3315, and 0.4280, respectively, for an equivalent ratio of 1.80. The…
In order to better understand the chemistry involved during the combustion of components of diesel fuel, the structure of a laminar lean premixed methane flame doped with indane has been investigated. The gases of this flame contains 7.1%…
In order to better understand their potential formation in combustion systems, a detailed kinetic mechanism for the formation of short-chain monocarboxylic acids, formic (HCOOH), acetic (CH3COOH), propionic (C2H5COOH) and propenic…
The thermal decomposition of n-dodecane, a component of some jet fuels, has been studied in a jet-stirred reactor at temperatures from 793 to 1093 K, for residence times between 1 and 5 s and at atmospheric pressure. Thermal decomposition…
The aromatic molecule benzene is considered the essential building block for larger polycyclic aromatic hydrocarbons (PAHs) in space. Despite benzene's importance in the formation of PAHs, the formation mechanisms of interstellar benzene…
This paper describes how automatically generated detailed kinetic mechanisms are obtained for the oxidation of alkanes and how these models could lead to a better understanding of autoignition and cool flame risks at elevated conditions.…
Methylated polycyclic aromatic hydrocarbons (PAHs) have been hypothesised to be present in the interstellar medium (ISM) through their 3.4 and 6.9 $\mu$m absorption bands. To investigate the hydrogenation of these methylated PAHs, the…
We present an extensive review of gas phase reactions producing methylacetylene and propene showing that these relatively abundant unsaturated hydrocarbons cannot be synthesized through gas-phase reactions. We explain the formation of…
Benzonitrile ($c$-C$_6$H$_5$CN), a polar proxy for benzene ($c$-C$_6$H$_6$}), has the potential to serve as a highly convenient radio probe for aromatic chemistry, provided this ring can be found in other astronomical sources beyond the…
The present work investigates the structure of fast supersonic turbulent flames typically observed as precursors to the onset of detonation. These high speed deflagrations are obtained after the interaction of a detonation wave with…
Ignition delay times of cyclopentene-oxygen-argon mixtures were measured behind reflected shock waves. Mixtures contained 0.5 or 1 % of hydrocarbons for equivalence ratios ranging from 0.5 to 1.5. Reflected shock waves conditions were:…
The formation of Polycyclic Aromatic Hydrocarbons in the circumstellar outflows of evolved stars is reviewed, with an emphasis on carbon stars on the Asymptotic Giant Branch. Evidence for PAHs present in their winds is provided by…
Starphenes are attractive compounds due to their characteristic physicochemical properties that are inherited from acenes, making them interesting compounds for organic electronics and optics. However, the instability and low solubility of…
Small organic molecules are thought to provide building blocks for the formation of complex interstellar polycyclic aromatic hydrocarbons (PAHs). However, the underlying chemical mechanisms remain unclear, particularly concerning the role…
We propose a simple and efficient pathway for the formation of precursors to core nucleobases in DNA and RNA using a suite of computational chemistry methods. Benzene, which is thermochemically stable in N2- or CO2-dominated atmospheres,…