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Development and validation of skeletal/global mechanisms describing TMP-based flame inhibition
Combustion Theory and Modelling ( IF 1.3 ) Pub Date : 2022-06-26 , DOI: 10.1080/13647830.2022.2090443
Pabitra Badhuk 1 , R. V. Ravikrishna 1
Affiliation  

Phosphorus-based chemical compounds such as trimethylphosphate (TMP) and dimethylmethylphosphonate (DMMP) are widely used as fire suppressants. The detailed chemical kinetic mechanism by Jayaweera et al. [1] is frequently used to describe the flame inhibition process. The elementary reaction steps can be categorised into inhibitor molecule decomposition steps and radical recombination steps. The present work shows that the inhibitor decomposition process can be adequately represented by a single irreversible step for TMP. Subsequently, graph-based mechanism reduction techniques and sensitivity analysis are employed to extract the key catalytic inhibition reactions. The resultant skeletal kinetic mechanism consists of 4 species and 7 reactions. The present work also proposes a global mechanism containing 3 species and 3 reactions. In the global model, flame inhibition is described by a 2-step model. These models are validated in premixed and diffusion flame environments. Excellent agreement with the experimental measurements and detailed model predictions are obtained. Development of the skeletal/global models reduces the computational time by around 82% compared to the detailed model.



中文翻译:

描述基于 TMP 的火焰抑制的骨架/全局机制的开发和验证

磷酸三甲酯 (TMP) 和膦酸二甲酯 (DMMP) 等磷基化合物被广泛用作灭火剂。Jayaweera 等人的详细化学动力学机制。[1] 经常被用来描述火焰抑制过程。基本反应步骤可分为抑制剂分子分解步骤和自由基重组步骤。目前的工作表明,抑制剂分解过程可以通过 TMP 的单个不可逆步骤来充分表示。随后,采用基于图的机理还原技术和敏感性分析来提取关键的催化抑制反应。由此产生的骨骼动力学机制由 4 个物种和 7 个反应组成。目前的工作还提出了一个包含 3 个物种和 3 个反应的全局机制。在全局模型中,火焰抑制由两步模型描述。这些模型在预混和扩散火焰环境中得到验证。获得了与实验测量和详细模型预测的极好一致性。与详细模型相比,骨架/全局模型的开发将计算时间减少了约 82%。

更新日期:2022-06-26
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