GOALI: Methane Upgrading: Optimal Reactor Design

摘要：本研究项目的目的是利用最优控制理论，以最大限度地提高天然气转化为C2+碳氢化合物和/或甲醇的产量和转化效率。具体而言，将设计和开发一种新型化学反应器，允许沿连续流反应器长度可控地增加质量和能量通量。模块化非催化均相气相反应器和模块化催化固定床反应器将被考虑。该计划将包括实验和建模工作，通过使用最优控制理论和灵敏度分析相互联系。作为建模工作的一部分，将获得最佳设计，以协助反应堆的创建，并建议最佳的实验操作条件。例如，沿反应器长度所需的温度和质量通量分布曲线，应沿反应器注入何种化学物质的选择，以及控制淬火过程的方法（能量提取速率、化学物质稀释速率等）。最后，反应器的建造将允许实验室反馈，以充分优化实际操作条件下所需产品的产量和天然气的转换效率。该项目涉及普林斯顿大学和新泽西州安南代尔的埃克森研究与工程公司之间的合作。这项合作将包括在普林斯顿大学和埃克森美孚公司进行实验室实验和模型计算，相互补充，为每个小组的工作提供确认，并促进两个小组之间积极的技术交流，以加快用于甲烷升级的新型经济反应堆设计的开发和工业实施。最佳反应器设计将考虑特定的化学系统，包括(1)甲烷转化为乙烯，(2)甲烷转化为合成气，(3)甲烷转化为甲醇。由于开发经济流程的重要性，将在项目的第二年和第三年进行将拟议的反应堆方法应用于工业实践的预计成本分析。

Abstract - Rabitz - 9633359 The objective of this research project is to employ optimal control theory to maximize the yields and conversion efficiencies for the upgrading of natural gas to C2+ hydrocarbons and/or methanol. Specifically, a new type of chemical reactor will be designed and developed that will allow for controllable addition of mass and energy fluxes along the length of a continuous flow reactor. Modular non-catalytic homogeneous gas-phase reactors as well as modular catalytic fixed bed reactors will be considered. The program will consist of both experimental and modeling efforts interconnected by the use of optimal control theory and sensitivity analysis. As part of the modeling effort, optimal designs will be obtained to assist in the creation of the reactor and to suggest optimal experimental operating conditions. e.g., the temperature and mass flux distribution profiles required along the length of the reactor, the selection of which chemical species should be injected along the reactor, and methods to control the quenching process (rates of energy extraction, dilution by chemical species, etc.). Finally, the reactor will be constructed to allow for laboratory feedback to fully optimize the yields of desired products and conversion efficiencies of natural gas under the actual operating conditions. This project involves a collaborative effort between Princeton University and Exxon Research and Engineering in Annandale, New Jersey. The collaboration will involve conducting laboratory experiments and modeling calculations at both Princeton and Exxon that complement each other, provide confirmation of each group's work, and stimulate an active exchange of technology between the two groups in order to expedite the development and industrial implementation of new economic reactor designs for methane upgrading. Optimal reactor designs will be considered for specific chemical systems that include (1) conversion of methane to ethylene, (2) conversion of methane to synthesi s gas, and (3), conversion of methane to methanol. Because of the importance of developing an economic process, projected cost analyses for implementation of the proposed reactor methodology into industrial practice will be performed during the second and third years of the program.