An experimental and computational study of the reaction between 2-methylallyl radicals and oxygen molecules: optimizing master equation parameters with trace fitting

Autor:	Timo T. Pekkanen, Raimo S. Timonen, Struan H. Robertson, György Lendvay, Satya P. Joshi, Timo T. Reijonen, Arkke J. Eskola
Rok vydání:	2022
Předmět:	General Physics and Astronomy Physical and Theoretical Chemistry
Zdroj:	Physical Chemistry Chemical Physics. 24:4729-4742
ISSN:	1463-9084 1463-9076
DOI:	10.1039/d1cp05591g
Popis:	We have investigated the reaction between 2-methylallyl radicals and oxygen molecules with experimental and computational methods. Kinetic experiments were conducted in a tubular laminar flow reactor using laser photolysis for radical production and photoionization mass spectrometry for detection. The reaction was investigated as a function of temperature (203-730 K) and pressure (0.2-9 torr) in helium and nitrogen bath gases. At low temperatures (
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6d3b765ecb262ed4665bdfcb3eab8399 https://doi.org/10.1039/d1cp05591g Zobrazit plný text záznamu