An experimental and kinetic modeling study on dimethyl carbonate (DMC) pyrolysis and combustion
An experimental and kinetic modeling study on dimethyl carbonate (DMC) pyrolysis and combustion
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DOI：
10.1016/j.combustflame.2015.11.019
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发表时间：
2016-02
影响因子：
4.4
通讯作者：
Wenyu Sun;Bin Yang;N. Hansen;C. Westbrook;Feng Zhang;Gao-Yin Wang;K. Moshammer;C. Law
中科院分区：
文献类型：
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作者：
Wenyu Sun;Bin Yang;N. Hansen;C. Westbrook;Feng Zhang;Gao-Yin Wang;K. Moshammer;C. Law
碳酸二甲酯（DMC）分子结构中不含碳碳键，氧含量高，是一种很有前途的含氧燃料添加剂或代用品。为了更好地了解其化学氧化和燃烧动力学，流动反应器热解在不同的压力（40，200和1040毫巴）和低压层流预混火焰具有不同的当量比（1.0和1.5）进行了研究。许多反应中间体和产物的摩尔分数分布在估计的实验不确定性。通过理论计算和估算，建立了由257个组分和1563个反应组成的DMC热解和高温燃烧的详细动力学模型。然后使用详细的化学成分信息，主要是从目前的测量的动力学模型的性能进行了分析。此外，它被检查对逆流扩散火焰的化学结构，依赖于全局燃烧特性，如点火延迟时间和层流燃烧速度。这些扩展的比较产生了总体令人满意的协议，证明了本模型在广泛的高温条件下的适用性。
Dimethyl carbonate (DMC) is a promising oxygenated additive or substitute for hydrocarbon fuels, because of the absence of C–C bonds and the large oxygen content in its molecular structure. To better understand its chemical oxidation and combustion kinetics, flow reactor pyrolysis at different pressures (40, 200 and 1040 mbar) and low-pressure laminar premixed flames with different equivalence ratios (1.0 and 1.5) were investigated. Mole fraction profiles of many reaction intermediates and products were obtained within estimated experimental uncertainties. From theoretical calculations and estimations, a detailed kinetic model for DMC pyrolysis and high-temperature combustion consisting of 257 species and 1563 reactions was developed. The performance of the kinetic model was then analyzed using detailed chemical composition information, primarily from the present measurements. In addition, it was examined against the chemical structure of an opposed-flow diffusion flame, relying on global combustion properties such as the ignition delay times and laminar burning velocities. These extended comparisons yielded overall satisfactory agreement, demonstrating the applicability of the present model over a wide range of high-temperature conditions.