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In order to better understand the thermal decomposition of polycyclanes, the pyrolysis of tricyclodecane has been studied in a jet-stirred reactor at temperatures from 848 to 933 K, for residence times between 0.5 and 6 s and at atmospheric…

The prediction of auto-ignition delay times in HCCI engines has risen interest on detailed chemical models. This paper described a validated kinetic mechanism for the oxidation of a model Diesel fuel (n-decane and α-methylnaphthalene).…

The objective of this study is to determine the critical conditions for a detonation wave formation following a Mach reflection of two incident shocks. This problem is central to the propagation mechanism of cellular detonations, where such…

Fluid Dynamics · Physics 2023-12-11 Farzane Zangene , Matei Radulescu

An extension of the model described in a previous work of Maillet, Soulard and Stoltz based on a Dissipative Particule Dynamics is presented and applied to liquid nitromethane. Large scale non-equilibrium simulations of reacting…

Materials Science · Physics 2011-07-19 J. -B. Maillet , G. Vallverdu , N. Desbiens , G. Stoltz

Regimes of chemical reaction wave propagating in reactive gaseous mixtures, whose chemistry is governed by chain-branching kinetics, are studied depending on the characteristics of a transient thermal energy deposition localized in a finite…

Chemical Physics · Physics 2015-03-13 Alexey D. Kiverin , David R. Kassoy , Mikhail F. Ivanov , Michael A. Liberman

Autoignition experiments of stoichiometric mixtures of s-, t-, and i-butanol in air have been performed using a heated rapid compression machine (RCM). At compressed pressures of 15 and 30 bar and for compressed temperatures in the range of…

Chemical Physics · Physics 2017-06-12 Bryan W. Weber , Chih-Jen Sung

The present paper seeks to determine the mechanism of flame acceleration and transition to detonation when a turbulent flame preceded by a shock interacts with a single obstruction in its path, taken as a cylindrical obstacle or a wall in…

Fluid Dynamics · Physics 2018-06-12 Willstrong Rakotoarison , Brian Maxwell , Andrzej Pekalski , Matei I. Radulescu

We reveal the hydrogen isotope effect of three chemical reactions, i.e, the reflection, the absorption and the penetration ratios, by classical molecular dynamics simulation with a modified Brenner's reactive empirical bond order (REBO)…

Materials Science · Physics 2007-05-23 Nakamura Hiroaki , Arimichi Takayama , Astushi Ito

Shock tubes have been routinely used to generate reliable chemical kinetic data for gas-phase chemistry. The conventional diaphragm-rupture mode for shock tube operation presents many challenges that may ultimately affect the quality of…

Fluid Dynamics · Physics 2023-05-19 Janardhanraj Subburaj , Touqeer Anwar Kashif , Aamir Farooq

Hydrogen-air deflagrations with venting at the end of obstructed tubes are studied experimentally and numerically. A shockless transition to the so-called chocked regime of the flame propagation is reported. Mixtures with 13% vol. of…

Fluid Dynamics · Physics 2012-09-03 J. Yanez , M. Kuznetsov , V. Bykov

Shock tubes provide well-controlled high-temperature and high-pressure conditions for chemical kinetics studies, yet the region behind the reflected shock is seldom perfectly homogeneous. Axial and radial gradients arise from shock…

Fluid Dynamics · Physics 2026-03-12 Touqeer Anwar Kashif , Janardhanraj Subburaj , Aamir Farooq

Flame propagation through a non-volatile solid-fuel suspension is studied using a simplified, time-dependent numerical model that considers the influence of both diffusional and kinetic rates on the particle combustion process. It is…

We study experimentally fast flames and their transition to detonation in mixtures of methane, ethane, ethylene, acetylene, and propane mixtures with oxygen. Following the interaction of a detonation wave with a column of cylinders of…

Fluid Dynamics · Physics 2015-12-09 Mohamed Saif , Wentian Wang , Andrzej Pekalski , Marc Levin , Matei I. Radulescu

Light-element compounds hold great promise of high critical temperature superconductivity judging from the theoretical perspective. Hydrogen-rich material, benzene, is such a kind of candidate but also an organic compound. A series of…

Superconductivity · Physics 2018-05-24 Guo-Hua Zhong , Chun-Lei Yang , Xiao-Jia Chen , Hai-Qing Lin

Five recently developed chemical kinetics mechanisms for ammonia oxidation are analysed and compared, in the context of homogeneous adiabatic autoignition. The analysis focuses on the ignition delay and is based on the explosive mode that…

Chemical Physics · Physics 2023-04-10 Shahid Rabbani , Dimitris M. Manias , Dimitrios C. Kyritsis , Dimitris A. Goussis

The thermal decomposition of norbornane (dissolved in benzene) has been studied in a jet stirred reactor at temperatures between 873 and 973 K, at residence times ranging from 1 to 4 s and at atmospheric pressure, leading to conversions…

In order to better understand the importance of the different channels leading to the first aromatic ring, we have investigated, the structure of a laminar rich premixed methane flame doped with several unsaturated hydrocarbons: allene and…

A method for computing minimum ignition energies for gaseous fuel mixtures with detailed and reduced chemistry, by numerical integration of time-dependent conservation equations in a spherically symmetrical configuration, is presented and…

This work presents a reaction mechanism for oxygen plasmas, i.e. a set of reactions and corresponding rate coefficients that are validated against benchmark experiments. The kinetic scheme is validated in a DC glow discharge for gas…

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…