Full Length ArticleA simplified 1-Butene (cas 106-98-9) mechanism with combined reduction method

Add time:08/18/2019    Source:sciencedirect.com

A reduced kinetic mechanism was proposed for 1-Butene (cas 106-98-9) based on direct relation graph related methods combined with species sensitivity analysis. At first step, sample points were identified along the temperature profiles, of which the net production rates were acquired to compute the importance index of non-target species to the targeted species. Several direct relation graph (DRG) related methods were applied to deliver simplified models of various sizes and then comparisons and interactions of these simplified models led to a compact skeletal mechanism of 82 species and 462 reactions. At next step, species sensitivity analyses were performed to carve a reduced mechanism that contains 52 species and 277 reactions out of the skeletal mechanism. Finally, the proposed chemistry model was validated against extensive kinetic experimental data. It includes ignition delay times over temperatures of 720–1800 K, pressures of 1.0–50 atm, and equivalence ratios of 0.5–2.0 measured in shock tubes and a rapid compression machine, laminar flame speeds tested at various pressures ranging 1.0 – 10 atm and at different initial temperatures from 300 K to 450 K. Mole fraction profiles of key species acquired in a jet stirred reactor at temperatures of 900–1450 K and atmospheric pressure were used to examine the predictive performance of the reduced model on species concentrations. Good agreements of the numerical simulations with the experiments indicate the reliability of the proposed reduced mechanism for 1-butene.

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