Energy & Fuels, Vol.34, No.3, 3691-3708, 2020
A New Detailed Ethanol Kinetic Mechanism at Engine-Relevant Conditions
Ethanol is considered one of the most attractive renewable energy sources in the modern days. A chemical mechanism on ethanol is generated in this work to predict the performance of this fuel in engine-relevant operating conditions. To build this mechanism, a reaction mechanism generator (RMG) is utilized. The generated mechanism is compared against experimental results to find its accuracy. Important reactions responsible for the results are selected through sensitivity and path flux analysis. The rate parameter of important reactions is further adjusted from available literature data. The final mechanism is named PCRL-Mech1 and consists of 67 species and 1016 reactions. This mechanism shows an excellent agreement with experimental results of laminar burning speed and ignition delay time (using a shock tube and rapid compression machine). The mechanism is validated at temperatures, pressures, and equivalence ratios of 300-600 K, 1-10 atm, and 0.6-1.4 for laminar burning speed, respectively. For ignition delay time verification, temperatures of 820-1450 K, pressures of 3.3-80 atm, and equivalence ratios of 0.3-2 are considered. The newly developed mechanism is also validated for species concentration through a flow reactor, a jet stirred reactor, and a partially premixed counter flow flame. Finally, the PCRL-Mech1 mechanism is compared with six-top mechanisms available in literature. A normalized ratio of accuracy and computational time for other mechanisms with respect to PCRL-Mech1 is generated. It is found that PCRL-Mech1 has better combination of accuracy and time throughout all the varied operating conditions.