Development of a methodology for determining reaction pathways and rates of complex combustion reaction networks

开发确定复杂燃烧反应网络的反应路径和速率的方法

• 批准号: 500728527
• 负责人: Professor Dr. Kai Leonhard
• 金额: --
• 依托单位: Lehrstuhl für Technische Thermodynamik (LTT)
• 依托单位国家: 德国
• 项目类别: Research Grants
• 资助国家: 德国
• 项目状态: 未结题
• 来源: https://gepris.dfg.de/gepris/projekt/500728527?language=en
• 关键词: Development; methodology; determining; reaction; pathways

Many chemical and energy engineering applications rely on chemical reaction mechanisms to design processes and devices accurately. The development of such mechanisms is a challenging and time consuming task. Therefore, people work on several tools to facilitate the development of "greener" processes and devices. In the last funding period, we have evolved the Chemical Trajectory analYzer (CTY) into a tool that can significantly reduce the time required by an expert to develop a mechanism for a system of interest. Now, we want to develop this tool to further increase its range of applicability, the accuracy of the resulting model and to reduce the required expert time to obtain such a model. We will apply the resulting CTY to soot formation processes and to the oxidation of pollutants from biofuels in order to understand these phenomena quantitatively. This has not always been possible with classical approaches. In the long term, CTY will be used to make combustion engines and chemical processes more sustainable.

许多化学和能源工程的应用依靠化学反应机制来准确设计过程和设备。这种机制的发展是一项具有挑战性且耗时的任务。因此，人们致力于几种工具，以促进“更绿”的过程和设备的开发。在最后一个资金期间，我们将化学轨迹分析仪（CTY）发展成为一种工具，该工具可以大大减少专家为感兴趣系统开发机制所需的时间。现在，我们希望开发此工具，以进一步提高其适用性范围，所得模型的准确性，并减少获得此类模型所需的专家时间。我们将将所得的CTY应用于烟灰形成过程和生物燃料的污染物的氧化，以定量地了解这些现象。通过经典方法，这并不总是可能。从长远来看，CTY将用于使燃烧引擎和化学过程更具可持续性。