Affiliation:
1. IVG, Institute for Combustion and Gas Dynamics – Reactive Fluids and CENIDE, Center for Nanointegration Duisburg-Essen , University of Duisburg-Essen , 47057 Duisburg , Germany
Abstract
Abstract
Shock-tube experiments have been performed to investigate the thermal decomposition of octamethylcyclotetrasiloxane (D4, Si4O4C8H24) and hexamethylcyclotrisiloxane (D3, Si3O3C6H18) behind reflected shock waves by gas chromatography/mass spectrometry (GC/MS) and high-repetition-rate time-of-flight mass spectrometry (HRR-TOF-MS) in a temperature range of 1160–1600 K and a pressure range of 1.3–2.6 bar. The main observed stable products were methane (CH4), ethylene (C2H4), ethane (C2H6), acetylene (C2H2) and in the case of D4 pyrolysis, also D3 was measured as a product in high concentration. A kinetics sub-mechanism accounting for the D4 and D3 gas-phase chemistry was devised, which consists of 19 reactions and 15 Si-containing species. The D4/D3 submechanism was combined with the AramcoMech 2.0 (Li et al., Proc. Combust. Inst. 2017, 36, 403–411) to describe hydrocarbon chemistry. The unimolecular rate coefficients for D4 and D3 decomposition are represented by the Arrhenius expressions k
total/D4(T) = 2.87 × 1013 exp(−273.2 kJ mol−1/RT) s−1 and k
total/D3(T) = 9.19 × 1014 exp(−332.0 kJ mol−1/RT) s−1, respectively.
Subject
Physical and Theoretical Chemistry
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