Experimental and modeling study of shock‐tube oxidation of acetylene

Abstract

Nine mixtures of acetylene and oxygen diluted in argon were studied behind reflected shock waves at temperatures of 1150-2132 K and pressures of 0.9-1.9 atm. Initial compositions were varied from very fuel-lean to moderately fuel-rich, covering equivalence ratios of 0.0625-1.66. Two more mixtures with added ethylene were used to boost the sensitivity to reactions of vinyl oxidation. The progress of reaction was monitored by laser absorption of CO molecules. The collected experimental data were subjected to extensive detailed chemical kinetics analysis. The initial kinetic model was assembled based on recent literature data and then optimized using the solution mapping technique. The analysis was extended to include recent experimental observations of Hidaka and co-workers (Combust Flame 1996, 107, 401). The derived model reproduces closely both sets of experimental data, the result obtained by modifying nine rate coefficients and three enthalpies of formation of intermediate species. The identified parameter tradeoffs and justification for the changes are discussed.

An experimental and modeling study of the oxidation of acetylene in a flow reactor

“…3 and 4, a number of reaction channels begin to be significant, even though their global contribution to C 2 H 2 consumption is limited compared to their interaction with O radicals to produce the cetyl radical. Those consumption paths include the interaction between C 2 H 2 and OH radicals, mainly through reactions (8) and (10).…”

“…It is an intermediate species during combustion processes and it is recognized as one of example, in Skjøth-Rasmussen et al [1]). Among the different studies addressing the conversion of acetylene from both experimental and kinetic modeling points of view, we can mention as an example the work of acetylene oxidation in a jet-stirred reactor of Tan et al [2], a number of works based on shock tube reactors, such as the works of Hidaka et al [3], Ryu et al [4], Laskin and Wang [5], Fournet et al [6], Varatharajan and Williams [7], or Eiteneer and Frenklach [8], and the works considering flames, such as those of Leung and Lindstedt [9] and Sheng and Bozzelli [10]. Even though acetylene oxidation has been addressed quite extensively, significant uncertainties still remain in relation to the kinetic modeling of the process and specifically to various reaction pathways and rates important for the conversion of acetylene.…”

Consistent dust and gas models for protoplanetary disks

“…taken from NIST (Kruse & Roth 1997;Eiteneer & Frenklach 2003). The activation barriers of 4000 K, 460.6 K (respectively) are set to zero.…”

Bayesian Error Propagation for a Kinetic Model of n‐Propylbenzene Oxidation in a Shock Tube

“…For this reason, surrogate models are widely used in this situation. Examples for the use of such models in the fields of chemical kinetics and combustion include quadratic response surfaces , third‐order polynomials , higher order orthonormal polynomials , cubic natural splines , and high‐dimensional model representation . We use polynomials of arbitrary order in this work.…”