Golovitchev Valeri I, Yang Junfeng
Department of Applied Mechanics, Chalmers University of Technology, S-412 96, Göteborg, Sweden.
Biotechnol Adv. 2009 Sep-Oct;27(5):641-55. doi: 10.1016/j.biotechadv.2009.04.024. Epub 2009 May 3.
Bio-diesel fuels are non-petroleum-based diesel fuels consisting of long chain alkyl esters produced by the transesterification of vegetable oils, that are intended for use (neat or blended with conventional fuels) in unmodified diesel engines. There have been few reports of studies proposing theoretical models for bio-diesel combustion simulations. In this study, we developed combustion models based on ones developed previously. We compiled the liquid fuel properties, and the existing detailed mechanism of methyl butanoate ester (MB, C(5)H(10)O(2)) oxidation was supplemented by sub-mechanisms for two proposed fuel constituent components, C(7)H(16) and C(7)H(8)O (and then, by mp2d, C(4)H(6)O(2) and propyne, C(3)H(4)) to represent the combustion model for rapeseed methyl ester described by the chemical formula, C(19)H(34)O(2) (or C(19)H(36)O(2)). The main fuel vapor thermal properties were taken as those of methyl palmitate C(19)H(36)O(2) in the NASA polynomial form of the Burcat database. The special global reaction was introduced to "crack" the main fuel into its constituent components. This general reaction included 309 species and 1472 reactions, including soot and NO(x) formation processes. The detailed combustion mechanism was validated using shock-tube ignition-delay data under diesel engine conditions. For constant volume and diesel engine (Volvo D12C) combustion modeling, this mechanism could be reduced to 88 species participating in 363 reactions.
生物柴油燃料是由植物油经酯交换反应生成的长链烷基酯组成的非石油基柴油燃料，旨在用于未改装的柴油发动机（纯用或与传统燃料混合使用）。很少有研究报告提出用于生物柴油燃烧模拟的理论模型。在本研究中，我们基于先前开发的模型开发了燃烧模型。我们汇编了液体燃料特性，并通过两个提议的燃料组成成分C₇H₁₆和C₇H₈O（然后通过mp2d，C₄H₆O₂和丙炔C₃H₄）的子机制补充了现有的丁酸甲酯（MB，C₅H₁₀O₂）氧化详细机制，以代表化学式为C₁₉H₃₄O₂（或C₁₉H₃₆O₂）的菜籽甲酯的燃烧模型。主要燃料蒸气热特性采用Burcat数据库中NASA多项式形式的棕榈酸甲酯C₁₉H₃₆O₂的特性。引入特殊的全局反应将主要燃料“裂解”为其组成成分。这个通用反应包括309种物质和1472个反应，包括炭黑和氮氧化物的形成过程。详细的燃烧机制在柴油机条件下使用激波管点火延迟数据进行了验证。对于定容和柴油机（沃尔沃D12C）燃烧建模，该机制可简化为88种物质参与363个反应。
