ELTE Eötvös Loránd University
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e-mail: turanyi@chem.elte.hu
Effect of the variation of oxygen concentration on the laminar burning velocities of hydrogen-enriched methane flames
The combustion properties of hydrogen-containing fuel mixtures and the effect of the variation of the oxygen content of the oxidizer are at the center of recent research interest. Laminar burning velocity measurements with varied oxygen content can help in the validation of reaction mechanisms for better simulations of combustion systems using exhaust gas recirculation (EGR) or oxygen-enriched atmosphere. Such measurements were carried out in hydrogen-enriched methane-air flames using the heat flux method with higher accuracy and a wider range of initial oxygen and hydrogen concentrations compared to the similar studies in the literature. The mole fractions of the hydrogen and oxygen contents of the initial fuel and oxidizer mixtures were varied between xH2 = 0 and 0.20, and xO2 = 0.14 and 0.23, respectively. The initial gas temperature and pressure were 298 K and 1 bar, respectively. It is demonstrated that the increase of combustion rate by the hydrogen enrichment can be compensated with the decrease of the oxygen content. This compensating effect was investigated in detail in a wide range of equivalence ratio (φ). The experimental data were simulated with 11 widely used methane combustion reaction mechanisms. The prediction accuracies of the mechanisms at lean and rich equivalence ratios were significantly different and the important reaction steps were identified using sensitivity analysis for three mechanisms. Mechanisms POLIMI-2014 and Caltech-2015 gave the best overall predictions.
Optima++ is a general framework for manipulating experimental data related to combustion chemistry, carrying out simulations of such experiments, performing model optimization and analysis, and providing auxiliary features for the above tasks. Optima++ is able to handle simulation codes FlameMaster, OpenSMOKE++ and ZeroRK. Also, Cantera is coming soon.
ReSpecTh is an information system of the ELKH-ELTE Complex Chemical Systems Research Group, prepared in collaboration with the ELTE Laboratory of Molecular Structure and Dynamics and the ELTE Chemical Kinetics Laboratory. ChemKinLab maintains the Reaction Kinetics (Re) branch. Currently this combustion chemistry database contains 151829 data points in 3239 XML-format data files and it has 789 registered users.
ReSpecTh Kinetics Data Format Specification v2.4
A series of tutorial videos were created on the efficient creation combustion data files, validation of combustion mechanisms, and using our codes on computer clusters. Also, a Hungarian language video describes the research opportunities in our lab for ELTE undergraduate students.
An interactive web site, where the users may find Arrhenius parameters of gas phase elementary reactions determined in direct measurements, theoretical calculations or have been used in modelling studies. The users may recalculate the uncertainty limits of the rate coefficients. The editors have the right to upload data sheets for new reactions and to add, delete or modify existing data sheets. The editor status may be granted to any registered user upon request to the administrator.
Visit k-evaluation web page
Reaction fluxes of a combustion simulation can be visualized in the forms of still pictures and videos.
We maintain a collection of a series of Chemkin-format reaction mechanisms for the combustion of the following fuels:
hydrogen, syngas, methanol, ethanol, methane, butanol, fuels+NOx.