Design of organic structure directing agents to control the synthesis of zeolites for carbon capture and storage

Abstract

We have de novo designed organic structure directing agents (OSDAs) for zeolites that have been predicted to be effective materials for carbon capture and storage. The zeolites were selected for their reduced parasitic energy when used as CO₂ adsorbants in a pressure–temperature swing process in coal- or natural gas-fired power plants. Synthetically accessible OSDAs were designed for five known and two theoretical frameworks.