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Calculating Polymer Flammability From Molar Group Contributions

机译:从摩尔基贡献计算聚合物可燃性

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Kinetic heat release rate is a molecular-level fire behavior that is proportional to the macroscopic heat release rate of a burning polymer. At the FAA we obtain the kinetic heat release rate of milligram samples by analyzing the oxygen consumed by complete combustion of the pyrolysis gases during a linear heating program. Dividing the kinetic heat release rate (W) by the sample mass (g) and rate of temperature rise (K/s) gives a material property with the units (J/g-K) and significance of a heat (release) capacity. If heat release capacity is truly a material property it is rooted in the chemical structure of the polymer and shoudl be calculable by summing the individual contributions of the molar groups comprising the molecule. Hundreds of polymers of known chemical composition have been tested to date, providing over 30 different assuming molar group additivity are in excellent agreement with experimental data for heat release capacity, suggesting a new capability for predicting flammability from polymer chemical structure.
机译:动力学放热速率是分子水平的燃烧行为,与燃烧的聚合物的宏观放热速率成比例。在FAA,我们通过分析线性加热程序中热解气体完全燃烧所消耗的氧气来获得毫克样品的动热释放速率。用动热释放速率(W)除以样品质量(g)和温升速率(K / s)可得出单位为(J / g-K)的材料特性,并且具有重要的散热(释放)能力。如果放热能力确实是一种材料性能,则其根源在于聚合物的化学结构,并且可以通过求和构成分子的摩尔基团的各个贡献来计算。迄今为止,已经对数百种已知化学成分的聚合物进行了测试,假设摩尔基团的加和性超过30种,与放热能力的实验数据高度吻合,这表明了一种从聚合物化学结构预测可燃性的新能力。

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