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A Reduced Mechanism for Biodiesel Surrogates with Low Temperature Chemistry

机译:低温化学生物柴油替代品的减少机制

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Biodiesel is a promising alternative fuel for compression ignition engines. It is a renewable energy source that can be used in these engines without significant alteration in the design. The detailed chemical kinetics of biodiesel is however highly complex. In the present study, a skeletal mechanism with 123 species and 394 reactions for a tri-component biodiesel surrogate, which consists of methyl decanoate, methyl 9-decenoate and n-heptane, was developed for reduced computational cost in engine simulations. The reduction was based on an improved directed relation graph (DRG) method that is particularly suitable for mechanisms with many isomers, followed by isomer lumping and DRG-aided sensitivity analysis (DRGASA). Error cancelation was employed in obtaining the compact skeletal mechanism with DRGASA. The reduction was performed for pressures from 1 to 100atm and equivalence ratios from 0.5 to 2 for both extinction and ignition applications. The initial temperature for ignition was from 700 to1800K. As such the skeletal mechanism is applicable for both low and high temperature ignition simulations. Compared with the detailed mechanism that consists of 3329 species and 10806 reactions, the skeletal mechanism features a dramatic reduction in size while still retaining good accuracy and comprehensiveness. Additional validation is also performed against liquid length and flame lift-off length data available from Sandia National Laboratories under compression-ignition (CI) engine conditions.
机译:生物柴油是一种有助于压缩点火发动机的替代燃料。它是一种可再生能源,可在这些发动机中使用,而无需设计的显着改变。然而,生物柴油的详细化学动力学非常复杂。在本研究中,具有123种和394个用于三组分生物柴油替代物的骨骼机制,由癸酸甲酯,甲基甲酯和正庚烷组成,以降低发动机模拟的计算成本。还原是基于改进的指向关系图(DRG)方法,其特别适用于具有许多异构体的机制,然后是异构体簇和DRG辅助敏感性分析(DRGASA)。采用误差取消获得DRGASA的紧凑骨骼机制。对于灭火和点火应用,对0.5至2的1至100℃和等效比的压力进行减少。点火的初始温度为700至1800K。因此,骨骼机制适用于低温和高温点火模拟。与由3329种和10806个反应组成的详细机制相比,骨架机制的尺寸剧烈降低,同时仍保持良好的准确性和全面性。还针对液体长度和火焰升降长度数据进行了额外的验证,从桑迪亚国家实验室下提供的压缩点火(CI)发动机条件。

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