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When designing high-efficiency spark-ignition (SI) engines to operate at high compression ratios, one of the main issues that have to be addressed is detonation development from a pre-ignition front. In order to control this phenomenon, it…

Butanol has received significant research attention as a second-generation biofuel in the past few years. In the present study, skeletal mechanisms for four butanol isomers were generated from two widely accepted, well-validated detailed…

Chemical Physics · Physics 2017-06-08 Xin Hui , Kyle E. Niemeyer , Kyle B. Brady , Chih-Jen Sung

Experimental and computational investigations are carried out to elucidate the influence of ethanol addition on n-heptane auto-ignition in counterflows. An axisymmetric stream of air, temperature gradually increased, is directed onto the…

Chemical Physics · Physics 2024-06-14 Liang Ji , Kalyanasundaram Seshadri , Forman A. Williams

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

This paper presents an approch for modeling with one single kinetic mechanism the chemistry of the autoignition and combustion processes inside an internal combustion engine, as well as the chemical kinetics governing the post-oxidation of…

Chemical Physics · Physics 2009-03-24 Jörg Anderlohr , Roda Bounaceur , A. Pires Da Cruz , Frédérique Battin-Leclerc

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).…

A systematic investigation on the effects of roaming radical reactions on global combustion properties for transportation fuels is presented. New software was developed that can automatically discover all the possible roaming pathways…

Chemical Physics · Physics 2018-07-03 Richard H. West , C. Franklin Goldsmith

Ammonia is a promising zero-carbon fuel for industrial and transport applications, but its combustion is hindered by flame instabilities, incomplete oxidation, and the formation of nitrogen oxides. Accurate and detailed kinetic models are…

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…

Biofuels have shown to be a reliable source of energy and a replication of fossil fuels. A well-known branch of biofuels is oxygenated ones derived from lignin compounds. Although a wide range of studies was done on oxygenated fuels,…

Fluid Dynamics · Physics 2018-06-20 Saeid Zare , Lameed Ayo Onigbanjo , Shrabanti Roy , Omid Askari

The present study addresses the role of molecular non-equilibrium effects in thermal ignition problems. We consider a single binary reaction of the form A+B -> C+C. Molecular dynamics calculations were performed for activation energies…

Chemical Physics · Physics 2019-04-17 R. Murugesan , N. Sirmas , M. I. Radulescu

Ignition of Jet-A/air mixtures was studied behind reflected shock waves. Heating of shock tube at temperature of 150 C was used to prepare a homogeneous fuel mixture. Ignition delay times were measured from OH emission at 309 nm and from…

Chemical Physics · Physics 2014-03-18 V. P. Zhukov , V. A. Sechenov , A. Yu. Starikovskiy

We report the temperature, pressure and composition dependence of some basic properties of model liquid water-methanol mixtures. For this purpose the isobaric-isothermal molecular dynamics computer simulations are employed. Our principal…

Soft Condensed Matter · Physics 2025-04-01 M. Cruz Sanchez , V. Trejos Montoya , O. Pizio

The problem of thermal ignition in a homogeneous gas is revisited from a molecular dynamics perspective. A two-dimensional model is adopted, which assumes reactive disks of type A and B in a fixed area that react to form type C products if…

Chemical Physics · Physics 2016-11-01 Nick Sirmas , Matei I. Radulescu

Fuel-lean hydrogen combustion systems hold significant potential for low pollutant emissions, but are also susceptible to intrinsic combustion instabilities. While most research on these instabilities has focused on flames without wall…

Fluid Dynamics · Physics 2025-07-14 Max Schneider , Hendrik Nicolai , Vinzenz Schuh , Matthias Steinhausen , Christian Hasse

Mixing, ignition and combustion behavior in a rapid compression and expansion machine operated under Premixed Charge Compression Ignition (PCCI) relevant conditions are investigated by combined passive optical and laser-optical high-speed…

Fluid Dynamics · Physics 2021-03-15 Ulrich Doll , Christophe Barro , Michele Todino , Konstantinos Boulouchos

The effects of nanosecond pulsed non-equilibrium plasma discharges on ignition characteristics and low-temperature chemistry or LTC of DME/O2/Ar mixtures are numerically investigated in a plane-to-plane geometry at a reduced pressure of 76…

Plasma Physics · Physics 2018-03-20 Yao Zhang

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)…

Chemical Physics · Physics 2009-03-31 Emir Pousse , Pierre-Alexandre Glaude , René Fournet , Frédérique Battin-Leclerc

Self-heating condition and following ignition in an Inertial Confinement Fusion (ICF) fuel pellet is evaluated by calculating the power equations, dynamically. In fact, the self-heating condition is a criterion that determines the minimum…

Plasma Physics · Physics 2018-10-16 T. Koohrokhi , R. Azadifar

Ramp compression experiments characterize high-pressure states of matter at temperatures well below those present in shock compression. However, because temperature is typically not directly measured during ramp compression, it is uncertain…

Materials Science · Physics 2021-10-14 F. González-Cataldo , B. K. Godwal , Kevin Driver , Raymond Jeanloz , Burkhard Militzer