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Chemical Kinetics Laboratory Institute of Chemistry
ELTE Eötvös Loránd University
Address: 1117 Budapest Pázmány Péter sétány 1/A, Hungary
phone: +36-1-372-2500
room 145     extension 1108
room 146     extension 1109
room 147     extension 1201
room 153     extension 1909
room 118     extension 1047
fax: +36-1-372-2592
e-mail: turanyi@chem.elte.hu
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Our newest publication
TOC_diff_entropy
The aim of several combustion experiments is the determination of the rate coefficients of important elementary reactions. Sheen and Manion (J. Phys. Chem. A, 118 (2014) 4929–4941) suggested a method for the design of shock tube experiments based on differential entropy. Their method was modified and extended in this work. In the extended method, both the experimental and residual errors of the measurements are considered at the calculation of the posterior uncertainty of the determined rate parameters, the differential entropy matrix is calculated in an analytical way and the net information flux value is calculated for each suggested experimental point. In an iterative procedure, all investigated experimental points with negative net information flux values are discarded and the remaining experimental conditions are recommended for the measurements. The most valuable candidate experimental points can be determined based on the net information flux values. 
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Our central computer code
Optima++

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.

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.


Available from ReSpecTh.hu

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.


Available from ReSpecTh.hu

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