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.

研究小组的共同目标是研究活塞发动机中天然气等原材料的有用基本化学物质，同时提供热量和机械工作。这种目标化学物质的例子是合成气体（氢和一氧化碳），烯烃和较高的碳氢化合物。该项目GM 3的主题是在发动机条件下基于数学上对化学转化的优化。理论指导，有希望的运营条件将在实验的项目（MM1，MM2）中得到识别和验证。在第三个融资期内，将进行材料和方法论发展。基于第二个融资期间对活塞发动机合成气体的二氧化碳改革的非常成功的调查，臭氧代替DME将被用作增加合成气产量的添加剂。在反应工程方面，正在研究该过程可以在视地上操作并用于储能的程度，即可以在多大程度上使用多余的电力来从活塞发动机中从CO2产生高质量的产品。与前两个融资期相比，这项研究扩大了活塞发动机的应用范围。为了进行数学优化，计划研究中将使用新近开发的基本反应机制。在到目前为止使用的方法的进一步开发中，数值模拟和数学优化将包括多压缩扩张过程。此外，开发的优化工具将应用于在较高压力下在项目GV1中使用的流动反应器中实验条件的最佳控制，并且项目GM2中反应物的再循环。在第三个融资期间，最近开发的软件平台Carmen将系统地使用。这不仅允许从理论和实验研究中对动力学数据进行有效的归档，还允许其自动分析。因此，卡门的使用有助于加速模型开发和寻找优化参数。正在开发用于研究数据管理的新概念，用于Carmen的跨项目应用，目的是使公众可以在研究小组中获得的所有结果。