当前石油资源的日益枯竭和石脑油裂解制烯烃成本的增加使得天然气部分氧化制乙炔技术得到了越来越多的重视。部分氧化技术利用甲烷的富燃燃烧来生产乙炔，与传统的非淬冷甲烷部分氧化制合成气技术相比，利用火焰淬冷方法除生产合成气外还可以生产乙炔，因而更有经济优势；甲烷部分氧化制乙炔技术不使用催化剂，避免了催化剂失活及催化剂原料成本对工业生产的影响。 采用详细化学反应动力学模拟方法对甲烷部分氧化工业过程中的点火延迟时间进行了预测。在所考查的详细化学反应机理中，USC II机理能够很好地预测甲烷/空气混合物（phi=3.33和6.67）的点火延迟时间。利用USC II机理来计算甲烷/氧气混合物在部分氧化工业条件下的点火延迟时间。预热温度对点火延迟时间的影响显著。原料气中甲烷浓度的增加会延长点火延迟时间。由敏感性分析，本文发现CH2O+HO2=HCO+H2O2 和CH2O+O2=HCO+HO2是减小点火延迟时间的最主要反应；HO2 自由基的重组反应是抑制点火发生的主要基元反应。 利用富燃层流预混火焰中乙炔浓度的实验数据对典型的详细反应动力学机理进行了评价和分析，对各个反应机理中的乙炔生成速率进行了分析。本文发现基元反应C2H2+OH=CH2CO+H的速率系数的差别是造成模拟结果和实验结果出现差别的主要原因。根据文献中报道的该反应动力学实验数据，上述基元反应的速率系数参数经过重新拟合后为k=1.326*10^13*T^0.11*exp(-11059cal/RT) cm3mol-1s-1。通过对上述基元反应的速率系数的优化，GRI 3.0、Healy (08) 和 San Diego机理对甲烷和乙烷火焰中乙炔浓度的预测能力得到明显地改善。 基于详细化学反应动力学机理耦合RANS-PDF方法对甲烷预混射流火焰进行了模拟研究，并且利用实验结果对模拟方法进行了验证。Leeds 1.5机理与RANS-PDF方法的耦合可以准确地预测火焰中的乙炔浓度变化。原料当量比和预热温度对乙炔的浓度有重要影响。RANS-PDF方法能够很好地预测工业乙炔炉内裂化气的气体组成，获得了工业乙炔炉内的三维温度分布、速度分布以及乙炔浓度分布，并且考查了预热温度和氧烷比对甲烷部分燃烧过程的影响。

As crude oil deposits dwindle and the cost of naphtha-derived olefins increases, partial oxidation of natural gas to produce acetylene is becoming more important. The partial oxidation technique converts methane into acetylene via combustion of fuel-rich methane/oxygen mixtures. Compared with the conventional production of synthesis gas by partial oxidation method without flame quenching technique, the method with rapid flame quenching can produce acetylene besides synthesis gas, and thus is more economically attractive. This method does not require a catalyst, thus it is not affected by the catalyst lifetime and the cost of catalytic materials.The predictions of ignition delay times under the industrial methane partial oxidation conditions were carried out using the detailed kinetic modeling method. Among the tested mechanisms, the USC II mechanism was the best to predict the ignition delay times of methane/air mixtures (phi=3.33 and 6.67). The ignition delay times of methane/oxygen mixtures under the industrial conditions were calculated by using the USC II mechanism. The ignition delay times were strongly affected by the preheating temperatures. The increase of methane concentration in the feed mixture increased the ignition delay time. Sensitivity analysis showed that the ignition delay time was shortened by the reactions: CH2O+HO2=HCO+H2O2 and CH2O+O2=HCO+HO2. The recombination reaction of the HO2 radicals played a main inhibiting role in the ignition process.A detailed evaluation of some typical detailed reaction mechanisms was conducted using the reported acetylene concentrations in the fuel-rich laminar premixed flames. Based on the analysis of acetylene production rates in the flames, the differences of the rate coefficient of C2H2+OH=CH2CO+H were mainly responsible for the disagreement between the experimental and calculated results. The appropriate rate coefficient for acetylene reacting with hydroxyl (OH) radical was derived as k=1.326*10^13*T^0.11*exp (-11059cal/RT) cm3mol-1s-1 by using the reported experimental data. The modified GRI 3.0, Healy (08), and San Diego mechanisms were improved and gave better predictions of acetylene concentrations in the methane and ethane flames.The RANS-PDF method coupled with detailed chemical mechanisms was developed to simulate the methane premixed jet flames, and the simulation method was validated by the experimental results. When the Leeds 1.5 mechanism was coupled with the RANS-PDF method, acetylene concentrations in the premixed flames can be predicted accurately by this simulation method.The equivalence ratio and preheating temperature have great impact on acetylene concentrations.The RANS-PDF method coupled with Leeds 1.5 mechanism also gave good predictions of the concentrations of other species in the product mixture in the industrial acetylene reactor. The three-dimensional profiles of temperature, velocity and acetylene concentration were obtained, and the influences of preheating temperature and oxygen/methane ratio were also investigated in the methane partial combustion process.