Mathematical optimization of operating conditions in chemical energy conversion in piston engines

活塞发动机化学能转化操作条件的数学优化

• 批准号: 239921130
• 负责人: Professor Dr. Olaf Deutschmann
• 金额: --
• 依托单位: Institut für Technische Chemie und Polymerchemie (ITCP)
• 依托单位国家: 德国
• 项目类别: Research Units
• 财政年份: 2013
• 资助国家: 德国
• 起止时间: 2012-12-31 至 2021-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/239921130?language=en
• 关键词: Mathematical; optimization; operating; conditions; chemical

The common goal of the research group is to investigate the production of useful basic chemicals from raw materials such as natural gas in a piston engine while simultaneously providing heat and mechanical work. Examples of such target chemicals are synthesis gas (hydrogen and carbon monoxide), olefins and higher hydrocarbons. The subject of this project GM 3 is the mathematically based optimization of the chemical conversion under engine conditions. Theory-guided, promising operating conditions will be identified and verified in the experiment-oriented projects (MM1, MM2).In this third funding period, both material and methodological developments will take place. Based on the very successful investigations on CO2 reforming to synthesis gas in piston engines in the second funding period, ozone instead of DME will be used as an additive to increase the synthesis gas yield. In terms of reaction engineering, the extent to which this process can be operated endothermically and used for energy storage is being investigated, i.e. to what extent excess electricity can be used to generate higher-quality products from CO2 in a piston engine. This study expands the range of applications for piston engines compared to the first two funding periods. For mathematical optimization, the elementary reaction mechanisms newly developed in project GM1 will be used in the planned investigations. In a methodical further development of the approach used so far, multi-compression-expansion processes will be included in the numerical simulation and mathematical optimization. In addition, the optimization tools developed will be applied to the optimal control of the experimental conditions in the flow reactor used in project GV1 at higher pressure and the recirculation of reactants in project GM2. In this third funding period, the recently developed software platform CaRMeN will be used systematically. This allows not only an efficient archiving of kinetic data from theoretical and experimental investigations, but also their automated analysis. The use of CaRMeN thus contributes significantly to accelerating model development and the search for optimized parameters. New concepts for research data management are being developed for the cross-project application of CaRMeN with the aim of making all the results obtained in the research group available to the general public.

该研究小组的共同目标是研究在活塞发动机中从天然气等原材料生产有用的基础化学品，同时提供热量和机械功。这种目标化学品的实例是合成气（氢气和一氧化碳）、烯烃和高级烃。该项目的主题GM 3是在发动机条件下基于数学的化学转化优化。将在面向实验的项目（MM 1、MM 2）中确定和验证理论指导的、有希望的操作条件。在第三个供资期，将进行材料和方法的开发。在第二个供资期内对活塞发动机中二氧化碳转化为合成气进行了非常成功的研究，在此基础上，将使用臭氧而不是二甲醚作为添加剂，以提高合成气产量。在反应工程方面，正在研究该过程可以吸热操作并用于能量存储的程度，即在多大程度上可以使用多余的电力在活塞发动机中从CO2产生更高质量的产品。与前两个资助期相比，这项研究扩大了活塞发动机的应用范围。在数学优化方面，GM 1项目中新开发的基元反应机理将用于计划的研究。在迄今为止所使用的方法的有条理的进一步发展中，多压缩-膨胀过程将被包括在数值模拟和数学优化中。此外，开发的优化工具将被应用于在项目GV 1中使用的流动反应器在较高压力下的实验条件的优化控制和项目GM 2中的反应物的再循环。在这第三个供资期内，将系统地使用最近开发的软件平台CaRMeN。这不仅允许从理论和实验研究的动力学数据的有效存档，而且还允许它们的自动分析。因此，使用CaRMeN大大有助于加速模型开发和优化参数的搜索。正在为CaRMeN的跨项目应用开发研究数据管理的新概念，目的是向公众提供研究小组获得的所有结果。