汽油燃料替代混合物均质压燃反应动力学基础研究
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摘要
均质压燃着火(HCCI)概念给出了实现内燃机高效率、低污染的新途径,是目前内燃机燃烧学界及相关领域的研究热点。燃料的化学反应动力学是HCCI燃烧模型的核心,对HCCI燃烧过程与排放研究起到至关重要的作用。作为内燃机的主要燃料,汽油是一种复杂的多组分燃料,其数值模拟仍面临着诸多基础理论上的难题。本文对汽油燃料在均质压燃数值模拟中替代混合物燃烧化学反应动力学模型进行了系统研究。
首先,以当前被广泛应用作为汽油燃料替代混合物的基础燃料(包含异辛烷和正庚烷)为研究对象,在HCCI发动机工况下进行了针对化学反应动力学耦合计算的研究与分析。通过四种典型反应机理的计算与HCCI发动机相关实验数据比较发现,各反应机理在不同实验状况下性能各异。由此提出了适用于HCCI发动机燃烧过程的基础燃料氧化反应的骨架机理(42种组分和71个反应),该机理可以较准确地预测发动机HC和CO的排放,对着火时刻和燃烧速率等参数的预测精度与详细机理模型基本相同,为耦合化学动力学机理的HCCI发动机多维模型计算创造了必要条件。
在此基础上考虑芳香烃的重要影响,本文提出使用甲苯参比燃料(包含异辛烷、正庚烷和甲苯)作为汽油燃料替代混合物。目前甲苯参比燃料的研究正处于初级阶段,其氧化反应机理大多为详细化学动力学机理。针对HCCI燃烧工况,构建了一个甲苯参比燃料氧化反应的简化机理(70种组分和196个反应)。此机理在激波管着火滞燃期和HCCI发动机缸内燃烧的计算预测中均表现出较高的准确性。应用响应曲面法确定替代混合物组分的比例,建立了四种数学模型并进行误差分析。模型不但可以进行汽油燃料替代混合物组分比例的确定,而且能够较为准确地预测燃料的研究辛烷值RON和马达辛烷值MON。
为了评价替代混合物对汽油燃料的预测效果,将基础燃料、甲苯参比燃料与汽油燃料进行了对比研究。在激波管着火滞燃期和HCCI发动机工况条件下,甲苯参比燃料对于汽油的预测计算均是令人满意的,而基础燃料则表现出放热率较低的情况。甲苯在燃烧过程中产生的苯甲基与HO2反应生成大量OH,消耗更多的燃料,提高了系统的反应率。鉴于汽油燃料的替代研究尚需要进一步的完善,本文开展了汽油燃料重要烯烃替代组分——二异丁烯的燃烧特性计算与化学动力学研究,为进一步完善汽油燃料替代混合物化学动力学机理奠定了基础。
Homogenous charge compression ignition (HCCI) combustion is being paid much attention and widely investigated due to their potential for high efficiencies and low emissions. The combustion in HCCI engine is controlled by the chemical kinetics of the fuels, which play a key role in combustion process and emission. Gasoline is one of the most important fuels in internal combustion engine. It is a complex mixture of hundreds of hydrocarbons, and is faced with the problem of many basic theories in numerical simulation. This thesis focuses on developing appropriate kinetic models of gasoline surrogate mixtures for HCCI combustion mode. The principal aim of this work is to understand gasoline HCCI combustion process and further development.
Primary reference fuel (PRF) is applied widespread as gasoline surrogates. Based on the analysis of PRF detailed mechanism, chemical kinetic calculation was performed in HCCI engine. The computation results with four typical mechanisms including shock tube, rapid compression machine and HCCI engine indicate that these mechanisms are different in concrete experimental conditions. Therefore, a skeleton mechanism for HCCI engine including 42 species and 71 reactions was developed. It could predict CO and HC emissions, ignition point and burn rate of HCCI engine. The simulations show that this skeleton mechanism model generally agrees well with those of the detailed chemical kinetic model. Thus, the highly efficient HCCI engine simulations using chemistry with multi-dimensional CFD are attainable by using the present model.
With regard to the influence of aromatic hydrocarbon, toluene reference fuel (TRF), a ternary mixture of iso-octane, n-heptane and toluene, is suitable as a gasoline surrogate fuel for HCCI combustion simulation. A review of currently TRF oxidation mechanisms was performed, and it indicates that most of those are detailed chemical kinetic model. A reduced kinetic model for TRF including 70 species and 196 reactions was constructed for HCCI combustion. Comparison of various experimental data, including shock tube tests and HCCI engine experiments, shows that the present TRF mechanism performs well. Response surface method (RSM) is applied for the octane number of any arbitrary tri-component gasoline surrogate consisting of toluene, i-octane and n-heptane. Given the octane number, the component proportion of TRF could be predicted.
In HCCI combustion conditions, the research results of primary reference fuel, toluene reference fuel and gasoline fuel indicate that the predicted calculation of toluene reference fuel is satisfactory, and heat release rate of primary reference fuel is lower. Addition of toluene, Production benzyl is oxidated to OH with HO2, which consumes more fuel, improves reaction rate. In view of gasoline surrogate mixture is still need further improvement, Diisobutylene, as a important candidate, could be considered. It is an additional component that is important to include based upon present and continuing uses as gasoline surrogate. The HCCI combustion characteristics and chemical kinetic of diisobutylene were studied numerically.
首先,以当前被广泛应用作为汽油燃料替代混合物的基础燃料(包含异辛烷和正庚烷)为研究对象,在HCCI发动机工况下进行了针对化学反应动力学耦合计算的研究与分析。通过四种典型反应机理的计算与HCCI发动机相关实验数据比较发现,各反应机理在不同实验状况下性能各异。由此提出了适用于HCCI发动机燃烧过程的基础燃料氧化反应的骨架机理(42种组分和71个反应),该机理可以较准确地预测发动机HC和CO的排放,对着火时刻和燃烧速率等参数的预测精度与详细机理模型基本相同,为耦合化学动力学机理的HCCI发动机多维模型计算创造了必要条件。
在此基础上考虑芳香烃的重要影响,本文提出使用甲苯参比燃料(包含异辛烷、正庚烷和甲苯)作为汽油燃料替代混合物。目前甲苯参比燃料的研究正处于初级阶段,其氧化反应机理大多为详细化学动力学机理。针对HCCI燃烧工况,构建了一个甲苯参比燃料氧化反应的简化机理(70种组分和196个反应)。此机理在激波管着火滞燃期和HCCI发动机缸内燃烧的计算预测中均表现出较高的准确性。应用响应曲面法确定替代混合物组分的比例,建立了四种数学模型并进行误差分析。模型不但可以进行汽油燃料替代混合物组分比例的确定,而且能够较为准确地预测燃料的研究辛烷值RON和马达辛烷值MON。
为了评价替代混合物对汽油燃料的预测效果,将基础燃料、甲苯参比燃料与汽油燃料进行了对比研究。在激波管着火滞燃期和HCCI发动机工况条件下,甲苯参比燃料对于汽油的预测计算均是令人满意的,而基础燃料则表现出放热率较低的情况。甲苯在燃烧过程中产生的苯甲基与HO2反应生成大量OH,消耗更多的燃料,提高了系统的反应率。鉴于汽油燃料的替代研究尚需要进一步的完善,本文开展了汽油燃料重要烯烃替代组分——二异丁烯的燃烧特性计算与化学动力学研究,为进一步完善汽油燃料替代混合物化学动力学机理奠定了基础。
Homogenous charge compression ignition (HCCI) combustion is being paid much attention and widely investigated due to their potential for high efficiencies and low emissions. The combustion in HCCI engine is controlled by the chemical kinetics of the fuels, which play a key role in combustion process and emission. Gasoline is one of the most important fuels in internal combustion engine. It is a complex mixture of hundreds of hydrocarbons, and is faced with the problem of many basic theories in numerical simulation. This thesis focuses on developing appropriate kinetic models of gasoline surrogate mixtures for HCCI combustion mode. The principal aim of this work is to understand gasoline HCCI combustion process and further development.
Primary reference fuel (PRF) is applied widespread as gasoline surrogates. Based on the analysis of PRF detailed mechanism, chemical kinetic calculation was performed in HCCI engine. The computation results with four typical mechanisms including shock tube, rapid compression machine and HCCI engine indicate that these mechanisms are different in concrete experimental conditions. Therefore, a skeleton mechanism for HCCI engine including 42 species and 71 reactions was developed. It could predict CO and HC emissions, ignition point and burn rate of HCCI engine. The simulations show that this skeleton mechanism model generally agrees well with those of the detailed chemical kinetic model. Thus, the highly efficient HCCI engine simulations using chemistry with multi-dimensional CFD are attainable by using the present model.
With regard to the influence of aromatic hydrocarbon, toluene reference fuel (TRF), a ternary mixture of iso-octane, n-heptane and toluene, is suitable as a gasoline surrogate fuel for HCCI combustion simulation. A review of currently TRF oxidation mechanisms was performed, and it indicates that most of those are detailed chemical kinetic model. A reduced kinetic model for TRF including 70 species and 196 reactions was constructed for HCCI combustion. Comparison of various experimental data, including shock tube tests and HCCI engine experiments, shows that the present TRF mechanism performs well. Response surface method (RSM) is applied for the octane number of any arbitrary tri-component gasoline surrogate consisting of toluene, i-octane and n-heptane. Given the octane number, the component proportion of TRF could be predicted.
In HCCI combustion conditions, the research results of primary reference fuel, toluene reference fuel and gasoline fuel indicate that the predicted calculation of toluene reference fuel is satisfactory, and heat release rate of primary reference fuel is lower. Addition of toluene, Production benzyl is oxidated to OH with HO2, which consumes more fuel, improves reaction rate. In view of gasoline surrogate mixture is still need further improvement, Diisobutylene, as a important candidate, could be considered. It is an additional component that is important to include based upon present and continuing uses as gasoline surrogate. The HCCI combustion characteristics and chemical kinetic of diisobutylene were studied numerically.
引文
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