2016/11/28 by Anand Parejiya, Manjeet Chaudhary, Parejiya, Anand +9
Chemical Engineering · Engineering · Materials Science · Mathematics · #Catalysis and Oxidation Reactions #Catalytic Processes in Materials Science #Combustion and flame dynamics #FOS: Physical sciences #Gas Dynamics and Kinetic Theory #Materials Science (cond-mat.mtrl-sci) #Phase Equilibria and Thermodynamics
paper · pdf · doi:10.48550/arxiv.1611.09468
openalex publication_date 2016/11/28 · openalex created_date 2022/09/30 · openalex updated_date 2026/07/28
Design and operation of advanced reactors such as fuel reformers require\nreliable micro-kinetic models that capture the dynamics of the reaction. The\nnegative temperature coefficient phenomenon causes a reduction in mixture\ntemperature for increasing inlet temperatures. However, micro-kinetic models\navailable in the literature have not been critically evaluated for their\nability to capture this phenomenon. Consequently, the ability to predict system\nbehavior for particular application situations, such as in the presence of\ncertain diluents or at high pressures, is largely missing. In this work, we\nadapt multiple reaction mechanisms from literature and compare them for methane\noxidation over a wide range of pressures and temperatures. Using reaction path\nanalysis and sensitivity analysis, we find that the C2 formation through the\nrecombination pathway is chiefly responsible for negative temperature\ncoefficient behavior. With this insight, the dependence of steam addition and\npressure on is also discussed.\n