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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.

SUBMITTER: Daeyaert F

PROVIDER: S-EPMC9076543 | biostudies-literature | 2019 Dec

REPOSITORIES: biostudies-literature

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

Daeyaert Frits F Deem Michael W MW

RSC advances 20191217 71

We have <i>de novo</i> 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 CO<sub>2</sub> 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. ...[more]

PMID: 35541618

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Project description:Herein, the crystallization behaviour of the CHA zeolite synthesized via the seed-assisted method and in the absence of an organic structure-directing agent has been revisited. To date, the working hypothesis of the seed-assisted synthesis method is that the parent gel and seed share the common composite building unit (cbu) of the targeted zeolite crystal. In the case of the CHA zeolite, we reveal that the parent gel in the absence of CHA seeds leads to the formation of the MER zeolite, which does not follow the cbu working hypothesis. It appears that smaller, but essential common units, i.e., 4-membered ring (4-MR) aluminosilicate, play a key role, instead of a larger cbu. The parent gel contains 4-MRs, which can grow into MER and/or CHA, depending on several factors, i.e. alkalinity, Si/Al ratio, synergistic effects of Na+ and K+, and the seeds. In this study, the CHA zeolite with an Si/Al ratio of up to 15 was selectively crystallized in the presence of CHA seeds at suitable alkalinity ((Na2O + K2O)/SiO2 < 0.4) with a fixed point at the tie line of Na2O/SiO2 = 0.3 with K2O/SiO2 = 0.1. Subsequently, the ternary phase diagram was drawn as high alkalinity with (Na2O + K2O)/H2O > 0.4 showing the formation of an MER zeolite, a thermodynamically more stable phase than the CHA zeolite, whereas low alkalinity with (Na2O + K2O)/SiO2 < 0.4 showed the less crystalline CHA zeolite or amorphous products with MER as a competing phase. The crystallization of the CHA zeolite was found to be strongly dependent on the synergistic effects of sodium and potassium ions. The former appears to organize the 4-MRs into essential double-six rings (d6rs), while the latter arranges the formed d6rs into cha cages. The seeds are partially dissolved and provide the outer surface for the crystal growth of CHA. We anticipate that these results may provide useful insight for understanding the crystallization of zeolites and stimulate versatile design in the synthesis of zeolites, particularly for the industrially demanding seed-assisted technique.

Dataset Information

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

Publications

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

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