A comprehensive experimental and kinetic modeling study of butanone

Through a large interdisciplinary approach the “Tailor Made Fuels from Biomass” (TMFB) cluster of excellence has been pursuing the identification of next generation biofuels. By first using chemical synthesis to procure suitable chemical components from biomass followed by initial screening experiments a large information database is compiled and can be used to guide fuel design. As a result of this method butanone has been identified as a particularly interesting target owing to its potential usage as a spark-ignition fuel, thanks to its impressive knock resistant properties. This has motivated this study to consider the fundamental combustion chemistry controlling its reactivity under engine relevant conditions. A detailed chemical kinetic model which includes both high- and low-temperature oxidation reaction pathways for butanone is developed. This model (PCFCbutanone_v1) is validated using the available experimental data from the literature (included as supplemental material) and newly measured data collected during the course of this study. Ignition delay times are measured using both a shock tube and a rapid compression machine. They are measured for φ=1.0 butanone/air mixtures covering a range of temperatures (850–1280K) and pressures (20 and 40bar) that incorporates engine relevant conditions. In addition, laminar burning velocities for butanone are measured for a range of equivalence ratios (0.7–1.3) and pressures (1 and 5bar), an important parameter considering the potential use of butanone within spark ignition engines.