This study was undertaken to better understand the governing processes and reaction conditions under which NOx is produced in Waste to Energy (WtE) boilers. A three dimensional CFD model was created and calculated using the GRI 3.0, 50 species, 309 step detailed chemical kinetic model (DCKM) for methane/ethane combustion. Model results for primary NOx emissions and other pollutants agree well w...

We elaborate on a new 3+1 dimensional Monte Carlo parton cascade solving kinetic Boltzmann processes including for the first time inelastic multiplication processes (gg ↔ ggg) in a unified manner. The back reaction channel is treated fully consistently, exactly obeying detailed balance. The algorithm can handle, in principle, any specified initial conditions for the freed partons, the latter be...

This work entails a detailed modeling and experimental study for the oxidation kinetics of acetaldehyde (CH3CHO) its interaction with NOx. The ignition behavior CH3CHO/O2/Ar has been investigated in shock tube over temperature range 1149 to 1542 K, equivalence ratios 0.5 1.0 pressures near 1.2 bar. Absorbance–time profiles were recorded using mid-IR laser during autoignition measurements. A com...

Many industrial processes are based on radical gas phase chemistry. Detailed kinetic models are the most versatile way to model the chemistry for this processes, which is necessary for an optimal chemical reactor optimization and design. Due to the highly reactive nature of radicals however, the reaction networks easily contain up to hundreds of species and thousands of reactions. Providing the...

A detailed chemical kinetic model has been developed for ethane oxidation that is applicable over a wide range of temperatures and pressures. This model incorporates the results of recent ab initio studies of the important lowtemperature pathways of the C2H5 + O2 reaction as well as several C2H6 + RO2 abstraction reactions. These results change significantly the nature of the chain-branching re...

In recent decades, detailed kinetic models have become integral to combustion research. Progress has been significant and the latest models can explain many complicated combustion phenomena, and allow increasingly accurate engine simulations. These models can be very large (eg. the LLNL model for 2-methylalkanes has over 7,000 species and 30,000 reactions [1]) and there are now dozens of large ...