GOALI: Methane Upgrading: Optimal Reactor Design

摘要- Rabitz - 9633359 本研究项目的目标是采用最优控制理论，以最大限度地提高天然气升级为C2+烃和/或甲醇的产率和转化效率。 具体而言，将设计和开发一种新型的化学反应器，其将允许沿着连续流反应器的长度沿着可控地增加质量和能量通量。 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连接。 作为建模工作的一部分，将获得最佳设计，以帮助建立反应堆，并建议最佳的实验操作条件。例如，在一个实施例中，沿着反应器长度所需的温度和质量通量分布曲线、应沿着反应器注入的化学物质的选择、以及控制猝灭过程的方法（能量提取速率、化学物质的稀释等）。最后，反应器将被构造成允许实验室反馈，以在实际操作条件下充分优化所需产品的产率和天然气的转化效率。 该项目涉及普林斯顿大学和埃克森美孚研究和工程公司在新泽西安南代尔的合作努力。 该合作将涉及在普林斯顿和埃克森进行实验室实验和建模计算，相互补充，为每个小组的工作提供确认，并刺激两个小组之间的积极技术交流，以加快开发和工业实施新的经济反应器设计甲烷升级。 将考虑用于特定化学系统的最佳反应器设计，所述特定化学系统包括（1）甲烷到乙烯的转化，（2）甲烷到合成气的转化，和（3）甲烷到甲醇的转化。 由于开发经济工艺的重要性，将在该计划的第二年和第三年进行将拟议反应堆方法实施到工业实践中的预计成本分析。

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.