Abstract Diisopropyl-methylphosphonate (DIMP) is a common surrogate of Sarin for which a detailed kinetics mechanism was developed in 2002 (Glaude et al.— [12]). In the present paper, ignition delay times and laminar flame speeds of DIMP-based mixtures were studied around atmospheric pressure for the first time. Methane and hydrogen were used as baseline fuels, and mixtures of these fuels were doped with DIMP. The DIMP was added at 10% mol. of the fuel concentration for the shock-tube experiments (three equivalence ratios (0.5, 1.0, and 2.0) were investigated with methane). A stoichiometric DIMP/O2 mixture was also studied. For the laminar flame speed experiments, an equivalence ratio sweep was performed, and DIMP was added at 0.1% vol. of the total mixture, although DIMP was added to up to 0.5% vol. for the maximum flame speed condition with H2. Results showed that adding DIMP promotes the ignition of methane but also largely inhibits its laminar flame speed. A decrease in the flame speed with DIMP addition was observed with H2 as well, and the maximum flame speed was found to decrease linearly with the amount of DIMP added. The new results with DIMP were compared to data obtained recently for other Sarin surrogates. The influence of the structure of these surrogates on combustion properties was discussed. The kinetics model for DIMP does not capture the peculiar OH* profiles observed in the shock tube for the DIMP/O2 mixture, and the ignition delay times for the H2-DIMP mixture were very poorly predicted. On the other hand, ignition delay times for the CH4-DIMP mixture were predicted with good-to-fair agreement for most cases. A chemical analysis showed that a sub-mechanism for iso-propanol needs to be added to the mechanism. An updated detailed kinetics model, with a state-of-the-art hydrocarbon chemistry (including iso-propanol chemistry) and updates in the phosphorous chemistry and thermodynamic database was tested. This updated mechanism provides predictions that are less accurate than the original model in most cases, indicating a strong need to revisit the reactions describing the thermal decomposition of DIMP.

中文翻译：

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含有二异丙基甲基膦酸酯 (DIMP) 的混合物的点火延迟时间和层流火焰速度测量

摘要 二异丙基甲基膦酸酯 (DIMP) 是沙林的常见替代物，2002 年开发了详细的动力学机制（Glaude 等人—[12]）。在本文中，首次在大气压附近研究了基于 DIMP 的混合物的点火延迟时间和层流火焰速度。甲烷和氢气被用作基准燃料，这些燃料的混合物掺杂有 DIMP。以 10% mol 加入 DIMP。用于冲击管实验的燃料浓度的变化（三个当量比（0.5、1.0 和 2.0）与甲烷一起研究）。还研究了化学计量的 DIMP/O2 混合物。对于层流火焰速度实验​​，进行了当量比扫描，并以 0.1% 体积添加 DIMP。尽管 DIMP 的添加量高达 0.5% vol。使用 H2 的最大火焰速度条件。结果表明，添加 DIMP 促进了甲烷的点燃，但也极大地抑制了其层流火焰速度。在 H2 中也观察到随着 DIMP 添加火焰速度的降低，并且发现最大火焰速度随着添加 DIMP 的量而线性下降。将 DIMP 的新结果与最近获得的其他沙林替代物的数据进行了比较。讨论了这些替代物的结构对燃烧特性的影响。DIMP 的动力学模型没有捕捉到在 DIMP/O2 混合物的激波管中观察到的特殊 OH* 曲线，而且 H2-DIMP 混合物的点火延迟时间预测非常差。另一方面，在大多数情况下，CH4-DIMP 混合物的点火延迟时间是通过良好到公平的协议进行预测的。化学分析表明，需要将异丙醇的子机制添加到该机制中。对更新的详细动力学模型进行了测试，该模型具有最先进的碳氢化合物化学（包括异丙醇化学）以及磷化学和热力学数据库的更新。在大多数情况下，这种更新的机制提供的预测不如原始模型准确，这表明强烈需要重新审视描述 DIMP 热分解的反应。