Daeyaert Frits, Deem Michael W
Department of Bioengineering, Rice University 6100 Main St Houston TX USA
FD Computing Stijn Streuvelsstraat 64, 2340 Beerse Belgium.
RSC Adv. 2020 May 27;10(34):20313-20321. doi: 10.1039/d0ra02896g. eCollection 2020 May 26.
Industrial production of ethylene entails a costly separation from the ethane by-product, and this separation is the dominant consumer of energy in the process. Zeolites have been proposed as a next generation material for this separation process, and a molecular screen of all known zeolites has revealed several promising candidate materials. None of the identified materials has yet been synthesized in the all-silica form evaluated in the screen. We here design organic structure directing agents (OSDAs) for four of the zeolites with the best predicted separation performance, two that are ethylene selective and two that are ethane selective. The designed OSDAs may enable the synthesis of these zeolites for more energy efficient separation of ethylene and ethane.
乙烯的工业生产需要从乙烷副产品中进行成本高昂的分离，而这种分离是该过程中的主要能源消耗环节。沸石已被提议作为用于此分离过程的下一代材料，对所有已知沸石的分子筛选已揭示出几种有前景的候选材料。在筛选中评估的所有已鉴定材料均尚未以全硅形式合成。我们在此为四种预测分离性能最佳的沸石设计了有机结构导向剂（OSDA），其中两种对乙烯具有选择性，两种对乙烷具有选择性。所设计的有机结构导向剂可能有助于合成这些沸石，以实现更节能的乙烯和乙烷分离。
