Title

Validation and optimization of detailed combustion reaction mechanisms

Time:Nov. 22th,4:00 PM Beijing

Organizer

中国工程热物理学会燃烧学分会

清华大学燃烧能源中心

Registration

蔻享学术直播 （扫码预约）

https://www.koushare.com/lives/room/168915

Speaker

Prof.Tamas Turanyi

ELTE Eötvös Loránd University, Budapest, Hungary

Abstract：

The rate coefficients of elementary reactions can be measured directly using a series of experimental methods, but in most cases the determined values have at least +-30% uncertainty. The uncertainty of several  direct measurements can be converted to the uncertainty of the Arrhenius parameters using interactive web site https://k-evaluation.elte.hu/. Rate parameters determined in direct measurements, theoretical calculations and estimations are used at the setup of detailed reaction mechanisms. The combustion reaction mechanisms are then tested ("validated") using indirect measurements, like ignition delay times measured in shock tube and RCMs, laminar burning velocity measurements, and concentration profile measurements in various facilities. We have set up a database (http://respecth.hu) that contains a comprehensive collection of indirect experimental data for the combustion of C0/C1/C2 hydrocarbons and alcohols, and also data for NH3 and butanol combustion. The data collection is accompanied with computer code Optima++, which can run validation studies of mechanisms on computer clusters and process the results. The same code can be used for mechanism optimization, that is fitting the most important rate parameters to many indirect experimental data within their range of uncertainty. All mentioned resources are freely  available after a registration. More info is available in the web site of the laboratory: https://ChemKinLab.ELTE.hu/.

Biography:

Tamás TURÁNYI received his MSc in Chemistry in 1983 at the ELTE Eötvös Loránd University (Budapest, Hungary). He also received an MSc in Applied Mathematics and a PhD in Physical Chemistry in 1988 at the same university. He was a Visiting Research Fellow in the group of Prof. Mike Pilling at the University of Leeds, UK, in years 1990-92 and 1994-95. He joined the Institute of Chemistry of ELTE in 1995 and became a full professor in 2007. He is the head of the ELTE Chemical Kinetics Laboratory. He became a Fellow of The Combustion Institute in 2019. He has published 164 scientific papers, received 7640 citations and has a Hirsch index of 41 (according to Google Scholar).