Air Humidity Influence on Combustion of R-1234yf (CFCFCH), R-1234ze(E) (trans-CFCHCHF) and R-134a (CHFCF) Refrigerants.

The influence of air humidity on flame propagation in mixtures of hydrofluorocarbons (HFCs) with air was studied through numerical simulations and comparison with measurements from the literature. Water vapor added to the air in mixtures of fluorine rich hydrofluorocarbons (F/H≥1) can be considered as a fuel additive that increases the production of radicals (H, O, OH) and increases the overall reaction rate. The hydrofluorocarbon flame is typically a two-stage reaction proceeding with a relatively fast reaction in the first stage transitioning to a very slow reaction in the second stage which leads to the combustion equilibrium products.

Numerical study of gas-phase interactions of phosphorus compounds with co-flow diffusion flames.

The effects of phosphorus-containing compounds (PCCs) on the extinguishment and structure of methane-air coflow diffusion flames, in the cup-burner configuration, is studied computationally. Dimethyl methylphosphonate (DMMP), trimethyl phosphate (TMP), or phosphoric acid is added to either the air or fuel flow. Time-dependent axisymmetric computation is performed with full gas-phase chemistry and transport to reveal the flame structure and inhibition process.

Influence of Antimony-Halogen Additives on Flame Propagation.

A kinetic model for flame inhibition by antimony-halogen compounds in hydrocarbon flames is developed. Thermodynamic data for the relevant species are assembled from the literature, and calculations are performed for a large set of additional species of Sb-Br-C-H-O system. The main Sb- and Br-containing species in the combustion products and reaction zone are determined using flame equilibrium calculations with a set of possible Sb-Br-C-H-O species, and these are used to develop the species and reactions in a detailed kinetic model for antimony flame inhibition.

Flame Inhibition by Potassium-Containing Compounds.

A kinetic model of inhibition by the potassium-containing compound potassium bicarbonate is suggested. The model is based on the previous work concerning kinetic studies of suppression of secondary flashes, inhibition by alkali metals and the emission of sulfates and chlorides during biomass combustion. The kinetic model includes reactions with the following gas-phase potassium-containing species: K, KO, KO, KO, KH, KOH, KO, KO, (KOH), KCO, KHCO and KCO.

Understanding overpressure in the FAA aerosol can test by CHFBr (2-BTP).

Thermodynamic equilibrium calculations, as well as perfectly-stirred reactor (PSR) simulations with detailed reaction kinetics, are performed for a potential halon replacement, CHFBr (2-BTP, CHFBr, 2-Bromo-3,3,3-trifluoropropene), to understand the reasons for the unexpected enhanced combustion rather than suppression in a mandated FAA test. The high pressure rise with added agent is shown to depend on the amount of agent, and is well-predicted by an equilibrium model corresponding to stoichiometric reaction of fuel, oxygen, and agent. A kinetic model for the reaction of CHFBr in hydrocarbon-air flames has been applied to understand differences in the chemical suppression behavior of CHFBr vs.

Estimation of Kováts retention indices using group contributions.

We have constructed a group contribution method for estimating Kováts retention indices by using observed data from a set of diverse organic compounds. Our database contains observed retention indices for over 35,000 different molecules. These were measured on capillary or packed columns with polar and nonpolar (or slightly polar) stationary phases under isothermal or nonisothermal conditions.

Kinetic modeling of the laser-induced breakdown spectroscopy plume from metallic lead.

We report initial results of a study aimed toward developing a computational fluid dynamics (CFD) model to simulate the laser-induced breakdown spectroscopy (LIBS) plume for the purpose of understanding the physical and chemical factors that control the LIBS signature. The kinetic model developed for modeling studies of the LIBS plume from metallic lead includes a set of air reactions and ion chemistry as well as the oxidization, excitation, and ionization of lead atoms. At total of 38 chemical species and 220 reactions are included in the model.