An experimental and modeling study of methyl propanoate pyrolysis at low pressure
| Autor: | Yuyang Li, Fei Qi, Mingfeng Xie, Lidong Zhang, Zhanjun Cheng, Jianghuai Cai, Long Zhao, Lili Ye |
|---|---|
| Rok vydání: | 2013 |
| Předmět: |
chemistry.chemical_classification
General Chemical Engineering Radical Analytical chemistry General Physics and Astronomy Energy Engineering and Power Technology General Chemistry Mole fraction Mass spectrometry Dissociation (chemistry) Laminar flow reactor Fuel Technology Hydrocarbon Reaction rate constant chemistry Pyrolysis |
| Zdroj: | Combustion and Flame. 160:1958-1966 |
| ISSN: | 0010-2180 |
| DOI: | 10.1016/j.combustflame.2013.04.022 |
| Popis: | Methyl propanoate (MP) pyrolysis in a laminar flow reactor was studied at low pressure (30 Torr) within the temperature range from 1000 to 1500 K. About 30 products were detected and identified in the pyrolysis process using the photoionization mass spectrometry, including H 2 , CO, CO 2 , CH 3 OH, CH 2 O, CH 2 CO, C1 to C4 hydrocarbons and radicals (such as CH 3 , C 2 H 5 and C 3 H 3 ). Their mole fraction profiles versus temperature were also measured. For the unimolecular dissociation reactions, the rate constants were calculated by high precision theoretical calculations. Based on the theoretical calculations and measured mole fraction profiles of pyrolysis species, a kinetic model of MP pyrolysis containing 98 species and 493 reactions was developed. The model simulates the primary decomposition process well with the calculated rate constants. According to the rate of production analysis, the decomposition pathways of MP and the formation channels of both oxygenated and hydrocarbon products were discussed. It is concluded that the main decomposition pathway is MP → CH 2 COOCH 3 → CH 3 CO + CH 2 O → CO. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
Full Text from ScienceDirect