DFT的matlab源代码-Ligpy-Cantera:威斯康星大学直接顶石项目(林根热解中的开源动力学模型)

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DFT的matlab源代码Ligpy-Cantera 木质素热解的动力学模型(ligpy-cantera) 威斯康星州直接顶石项目 由于缺乏详细的动力学模型,通过木质纤维素原料的热化学转化进行生物量增值受到限制。 除了增加对机械的理解外,还需要更详细的模型来优化用于生产燃料和化学品的工业生物质热解Craft.io。 为此,我们开发了涉及约100种和400个React的木质素热解动力学模型,该模型能够预测木质素热解过程中分子和官能团的时间演变。 该模型提供的信息超出了常规热解模型总产量的范围,而无需进行任何拟合,从而可以覆盖更广泛的原料和React条件。 在缓慢的热解实验中观察到了很好的一致性,使用超过200万次模拟进行的详尽的全局敏感性分析揭示了对模型预测差异最大的React(可以使用敏感性分析结果和可视化软件包)。 可以进行快速热解的模型预测,但是,最近开发的用于动力学控制的生物质快速热解的实验技术尚未应用于木质素。 这项工作是对ligpy原始工作的持续发展。 ligpy是为解决动力学模型而开发的软件包,我们在我们的2016 IECR论文中对此进行了描述, 。 请阅读文档以获取有关使

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