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EVALUATED KINETIC DATA FOR MODELLING COMBUSTION PROCESSES.

Obiettivo

A) DIRECT INVESTIGATION OF ELEMENTARY REACTIONS IN THE OXYDATION OF FUEL NITROGEN (PROF. J.WOLFRUM)
THIS PROJECT CONCENTRATES ON THE EXPERIMENTAL DETERMINATION OF MISSING HIGH TEMPERATURE KINETIC DATA INCLUDING RATE COEFFICIENTS AND REACTION PRODUCTS FOR ELEMENTARY REACTIONS INVOLVED IN THE OXIDATION OF FUEL NITROGEN. MODERN LASER BASED METHODS ARE BEING USED TO MONITOR TRANSIENT AND STABLE SPECIES. PREVIOUS COLLABORATION WITHIN TECHFLAM AND CNRS (ROUEN) IS EXTENTED TO OTHER GROUPS IN THE CO-ORDINATION.

B) EVALUATED KINETIC DATA FOR MODELLING COMBUSTION PROCESSES (J.WARNATZ)
THE OBJECTIVE OF THE PRESENT PROGRAMME IS TO PRODUCE A HIGH QUALITY DATA BASE FOR THE KINETICS OF HOMOGENOUS GAS PHASE REACTIONS FOR USE IN MODELLING COMBUSTION PROCESSES. IN PARTICULAR, IT WILL CONSIST IN TESTING MECHANISM WITH HELP OF COMBUSTION DATA, CHECK THEM FOR CONSISTENCY, AND CONSTRUCT WORKING MECHANISMS FOR HYDROCARBON OXIDATION AND NITROGEN OXIDE CHEMISTRY AND TO PROVIDE FOR THE MODELLER A DATA BASE OF HIGH QUALITY, ACCESSIBLE AND THE INFORMATION THEY NEED.

A) FUEL NITROGEN CAN BE CONVERTED EITHER TO NO OR N2 DEPENDING ON THE COMPLICATE INTERPLAY OF MANY RADICAL REACTIONS TAKING PLACE DURING THE COMBUSTION PROCESS. A LARGE NUMBER OF THE INTERMEDIATE RADICAL SUCH AS CN, OH, NH, NH2, NCO, HNO AS WELL AS ATOMS H, N, O AND NO CAN BE DETECTED BY LASER INDUCED FLUORESCENCE SPECTROSCOPY (LIFS). EXIMER LASER PHOTOLYSIS WILL BE USED TO PRODUCE SUCH INTERMEDIATE RADICALS UNDER CONTROLLED CONDITIONS IN A HEATED REACTION VESSEL. DETECTION OF REACTANT WILL BE CARRIED OUT BY LIFS USING AN EXIMER LASER. THE PROGRAMME WILL CONCENTRATE ON A NUMBER OF SELECTED ELEMENTARY REACTIONS IN 3 STAGES :
1. NO TO N2 WITH NH2 RADICAL. DIRECT FORMATION OF N2 AND VIBRATIONAL EXITED H2O AS WELL AS FORMATION OF OH AND N2H ARE DISCUSSED.
2. REACTION HCN WITH OH RADICAL. DETERMINATION OF RATE CONSTANT AND PRODUCTS. BESIDE THE ADDITION OF HNCOH QUANTITATIVE MEASUREMENT OF HNCO AND H.
3. NCO RADICAL AND HNCO MOLECULE REACTION. FORMATION OF NH OR NH2 RADICALS BY REACTION OF H ATOMS WILL BE INVESTIGATED.

B) EXTENSIVE EXPERTIZE EXISTS IN EUROPE ON THE CHEMICAL MECHANISMS OF COMBUSTION PROCESSES AND ON THE KINETICS OF THE PARTICIPATING ELEMENTARY REACTIONS. IT IS PROPOSED TO TAP THESE RESOURCES BY ESTABLISHING A TASK GROUP OF EXPERTS DRAWN FROM THE INSTITUTES COLLABORATING IN THE CHEMICAL KINETICS PROGRAMME, TO SELECT AND EVALUATE THE EXISTING LITERATURE DATA ON COMBUSTION REACTIONS AND, WHERE NECESSARY, TO DEVISE SIMPLE PREDICTION AND EXTRAPOLATION SCHEMES FOR REACTIONS WHERE EXPERIMENTAL DATA ARE LACKING.

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Meccanismo di finanziamento

CSC - Cost-sharing contracts

Coordinatore

RUPRECHT-KARLS-UNIVERSITAET HEIDELBERG
Contributo UE
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Indirizzo
Seminarstrasse 2
69117 HEIDELBERG
Germania

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Partecipanti (1)