Understanding wood combustion has become increasingly critical as fire safety engineering moves toward a performance‐based approach to building design. Although different kinetic models have been developed for wood burning, chemical kinetics remains a significant challenge for accurate prediction. This work has developed a novel multiscale model by implementing kinetic parameters calculated from molecular dynamics simulations using reactive forcefield into a kinetic model of wood burning. The calculated kinetic parameters of the main components in wood, namely, cellulose, hemicellulose, and lignin, are first utilized to model microscale thermogravimetric experiments for validation. Subsequently, the mesoscale and full‐scale fire tests have been simulated by the multiscale model. Furthermore, the fire properties of various wood species at different heat fluxes have been predicted and compared with results from the cone calorimeter test. Our multiscale model outperforms existing kinetic models in predicting wood combustion and can effectively discern the influence of chemical components on fire properties.

中文翻译：

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木材燃烧的多尺度模型

随着消防安全工程转向基于性能的建筑设计方法，了解木材燃烧变得越来越重要。尽管针对木材燃烧开发了不同的动力学模型，但化学动力学仍然是准确预测的重大挑战。这项工作通过将使用反作用力场的分子动力学模拟计算出的动力学参数应用到木材燃烧的动力学模型中，开发了一种新颖的多尺度模型。首先利用计算出的木材主要成分（即纤维素、半纤维素和木质素）的动力学参数来模拟微尺度热重实验以进行验证。随后，通过多尺度模型模拟了中尺度和全尺度火灾试验。此外，还预测了不同木材品种在不同热通量下的防火特性，并与锥形量热计测试的结果进行了比较。我们的多尺度模型在预测木材燃烧方面优于现有的动力学模型，并且可以有效地辨别化学成分对火灾特性的影响。