EXPERIENCE AND DETAILED CHEMICAL KINETIC MODELING OF PAH AND SOOT FORMATION IN ETHYLENE FLAME IN THE NIST WELL-STIRRED REACTOR/PLUG FLOW REACTOR.

 

 

Benoite Lefort1, Wing Tsang1, Jeffrey A. Manion1 and Samuel L. Manzello2.

 

1. Chemical Science Technology Laboratory, National Institute of Standards and Technology (NIST), Gaithersburg, MD 20899, USA.

2. Building and Fire Research Laboratory, National Institute of Standards and Technology (NIST), Gaithersburg, MD 20899, USA.

 

 

The NIST well-stirred reactor/plug flow reactor is used to study polycyclic aromatic hydrocarbon (PAH) growth and soot in ethylene/air and aromatic/ethylene/air flames at atmospheric pressure.

Ethylene is chosen because ethylene is often at the center of combustion pathways, either as a fuel intermediate or as an intermediate for molecular-weight growth. The formation of PAH and soot has become of the central themes of research activities in the area of combustion and pyrolysis of hydrocarbon fuels.

The interest in the subject stems mostly from environmental concerns related to emissions of pollutants from combustion devices, such as gas turbines.

In the NIST reactor chemical species are sampled by an oil cooled probe with an orifice diameter of about 1/8. Recent work has focused on refining the calibration procedure for PAH specie detection. The smaller stable species (typically mass < 252 amu) are analyzed by gas chromatography with flame ionization and mass spectrometric detection (GC-FID/MS) while larger PAH are extracted from soot particles collected on filter paper. These new experimental results will use to understand the effects of aromatic additives, and look at the early chemistry surrounding formation of PAH and particulate soot. They data will additionally be used validate a detailed chemical kinetic mechanism previously developed in our laboratory.

 

AUTHOR INFORMATION

Name: Benoite Lefort, Division: Physical and Chemical Properties Division (838), Lab: Chemical Science and Technology Laboratory, Building / Room: 221 / B330, Mailstop: 8380, Phone: (301)975-3899, Fax: (301)975-3672, Email: benoite.lefort@nist.gov, Sigma Xi Member: No, Mentor: Wing Tsang (221/B350, x2507, wing.tsang@nist.gov), Poster category: Chemistry