GOALI: Methane Upgrading: Optimal Reactor Design

摘要-拉比茨-9633359本研究项目的目标是应用最优控制理论，最大限度地提高天然气转化为C2烃和/或甲醇的产率和转化效率。具体地说，将设计和开发一种新型的化学反应器，允许沿连续流动反应器长度方向可控地添加质量和能量通量。将考虑模块化非催化均相气相反应器以及模块化催化固定床反应器。该计划将由实验和建模工作组成，通过使用最优控制理论和灵敏度分析进行相互联系。作为建模工作的一部分，将获得最佳设计，以帮助创建反应堆并建议最佳的实验操作条件。例如，沿反应器长度方向所需的温度和质量流量分布情况、应沿反应器注入哪些化学物种的选择以及控制冷却过程的方法(能量提取速率、按化学物种稀释等)。最后，反应堆的建造将允许实验室进行反馈，以充分优化实际运行条件下所需产品的产量和天然气的转化效率。这个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努力。这项合作将包括在普林斯顿和埃克森美孚进行实验室实验和模拟计算，这些实验和模拟计算是相辅相成的，为每个小组的工作提供确认，并刺激两个小组之间积极的技术交流，以加快甲烷升级的新经济反应堆设计的开发和工业实施。对于特定的化学系统，将考虑最优的反应器设计，包括(1)甲烷转化为乙烯，(2)甲烷转化为合成S气体，和(3)甲烷转化为甲醇。由于开发经济流程的重要性，将在方案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.