A reduced mechanism for 2,5-dimetylfuran with assembled mechanism reduction methods

• Published in: Fuel (Guildford) 2019-08, Vol.250, p.52-64
• Main Authors: Tian, Zemin, Li, Jinghua, Yan, Yingwen
• Format: Article
• Language: English
• Subjects: 2,5-Dimethylfuran; Compression; Compression tests; Delay time; Direct-related method; Flames; High temperature; Ignition; Low temperature; Mechanism reduction; Nuclear fuels; Optimization; Oxidation; Quasi-equilibrium assumption; Reproduction (biology); Sensitivity analysis; Species
• ISSN: 0016-2361; 1873-7153
• DOI: 10.1016/j.fuel.2019.03.154

•Combination of various mechanism reduction methods was implemented.•A reduced mechanism of 73 species and 419 reactions were proposed for DMF.•The reduced mechanism well reproduce experimental data in a wide range. 2,5-dimethylfuran (DMF), a promising alternative bio-fuel, has received enormous kinetical investigations. In this study, a new simplified mechanism was developed to describe the oxidation characteristics of DMF over wide conditions. Starting with a detailed mechanism of 545 species and 2874 reactions, a two-stage DRG-related method was adopted to create a skeletal mechanism. Then species sensitivity analyses were conducted to eliminate remained unimportant species. Finally, quasi-steady state assumption was applied to sub-products of DMF consumption, leading to a more compact reduced mechanism of 73 species and 419 reactions. It was found that the reproduction of species profiles for fuel-lean mixture at temperatures of 800–950 K was inadequate. Some modifications and rate constant optimization based on sensitivity analysis were executed to fix this issue. The reliable predictive ability of the reduced mechanism at high temperature was validated against the ignition delay times at pressures of 1.2 – 16 atm, equivalence ratios of 0.5 – 2.0 ranging temperatures of 1100 – 1900 K. The low temperature modeling performance was verified with ignition delay times measured in a rapid compression machine over temperatures of 740 – 1100 K at pressures of 15 and 30 bar as well as mole fraction profiles of reactants, products and major intermediate species measured in a jet-stirred reactor at 10 atm. The proposed model was also proved to reproduce laminar flame velocities at various initial temperatures fairly well.