Description: The oxidation of hydrocarbons in the troposhere is of major importance when dealing with photochemical ozone formation. Therefore this project is focussed on the reactivity of RO-radicals of C3-C6-hydrocarbons towards O2 and NO2 as well as the thermal decomposition and the isomerization of these RO-radicals. The received data shall be evaluated by simulation under consideration of complete reaction mechanisms. The NO/NO2 condersion factors (NOCON-factors) obtained by this method reflect the mechanistic quota of the ozone formation potential of these hydrocarbons. The present investigations are limited to select Alkoxy-radicals with typical structural differences, i.e. 1-Alkoxy, 2-Alkoxy, i-Alkoxy, cycl.-Alkoxy. For these species absolute and relative rate constants can be determined by time-resolved studies of OH and NO2. In order to strengthen the comprehension of the measured rate constants and in order to transfer these data to other RO-radicals that are not yet investigated theoretical studies will be made. These studies are based on RRKM-calculations with determination of structural parameters of transition states by Gaussian 92 ab inition calculations.
SupportProgram
Origins: /Bund/UBA/UFORDAT
Tags: Ozon ? Arsen ? Kohlenwasserstoff ? VOC ? Stickstoffdioxid ? Daten ? Oxidation ? Simulation ? Studie ? Troposphäre ? Ozonbildung ? Ozonbildungspotenzial ? Atmosphärenchemie ? Kenngröße ? Reaktionskinetik ? Alkoxy-Radikalen ? Laserspektroskopie ? Radikal [Chemie] ? free radicals ? kinetics ? laser-spectrosocpy ?
Region: Nordrhein-Westfalen
Bounding boxes: 6.76339° .. 6.76339° x 51.21895° .. 51.21895°
License: cc-by-nc-nd/4.0
Language: Englisch/English
Time ranges: 1996-08-01 - 1999-06-30
Accessed 1 times.