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Autoignition delay experiments were performed for n-butanol in a heated rapid compression machine. Experiments were performed at pressures of 15 and 30 bar, in the temperature range 650-900 K, and for equivalence ratios of 0.5, 1.0, and…
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…
Autoignition experiments for n-butanol have been performed using a heated rapid compression machine at compressed pressures of 15 and 30 bar, in the compressed temperature range of 675-925 K, and for equivalence ratios of 0.5, 1.0, and 2.0.…
Combustion process can become more energy efficient and environment friendly if used with appropriate fuel additive. Discovery of fuel additive can be accelerated by applying hybrid approach of using of chemical kinetics and Machine…
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…
Butanol, an alcohol which can be produced from biomass sources, has received recent interest as an alternative to gasoline for use in spark ignition engines and as a possible blending compound with fossil diesel or biodiesel. Therefore, the…
Autoignition delay experiments for the isomers of butanol, including n-, sec-, tert-, and iso-butanol, have been performed using a heated rapid compression machine. For a compressed pressure of 15 bar, the compressed temperatures have been…
Fundamental experimental measurements of quantities such as ignition delay times, laminar flame speeds, and species profiles (among others) serve important roles in understanding fuel chemistry and validating chemical kinetic models.…
Understanding the combustion chemistry of acetaldehyde is crucial to developing robust and accurate combustion chemistry models for practical fuels, especially for biofuels. This study aims to reevaluate the important rate and thermodynamic…
The autoignition delays of iso-butanol, oxygen, and nitrogen mixtures have been measured in a heated rapid compression machine (RCM). At compressed pressures of 15 and 30 bar, over the temperature range 800-950 K, and for equivalence ratio…
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…
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…
The production process involved in the creation of biofuels consists of a number of operations and steps that require a meticulous understanding of the parameters and metrics. The production techniques again differ depending on the…
Investigation of the autoignition delay of the butanol isomers has been performed at elevated pressure of 15 bar and low to intermediate temperatures of 725-870 K. Stoichiometric mixtures made in nitrogen/oxygen air were studied. For the…
First-principles Markov Chain Monte Carlo sampling is used to investigate uncertainty quantification and uncertainty propagation in parameters describing hydrogen kinetics. Specifically, we sample the posterior distribution of thirty-one…
In many chemical and biological applications, systems of differential equations containing unknown parameters are used to explain empirical observations and experimental data. The DEs are typically nonlinear and difficult to analyze,…
Dynamical systems modeling, particularly via systems of ordinary differential equations, has been used to effectively capture the temporal behavior of different biochemical components in signal transduction networks. Despite the recent…
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…
New experimental data are collected for methyl-cyclohexane (MCH) autoignition in a heated rapid compression machine (RCM). Three mixtures of MCH/O2/N2/Ar at equivalence ratios of $\phi$=0.5, 1.0, and 1.5 are studied and the ignition delays…
A novel method for analyzing counterflow diffusion flames, inspired by Zurada's sensitivity approach for neural networks, is proposed to identify critical species influencing the heat release rate in combustion. By further analyzing…