An anion-promoted increase of the SiO2/Al2O3 ratio of zeolites†

Chang Sun; Wei Chen; Jianyu Wang; Shuang Wang; Zhe Ma; Mengyang Chen; Anmin Zheng; Wenfu Yan; Jihong Yu

doi:10.1039/d1qi01540k

An anion-promoted increase of the SiO₂/Al₂O₃ ratio of zeolites†

Chang Sun, Wei Chen, Jianyu Wang, Shuang Wang, Zhe Ma, Mengyang Chen, Anmin Zheng^*, Wenfu Yan^*, Jihong Yu^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

7 Citations (Scopus)

Abstract

In this work, we reported a facile strategy to improve the SiO₂/Al₂O₃ ratio of zeolites by introducing NaI as an efficient additive. The SiO₂/Al₂O₃ ratio of MOR was increased by 0.87 with the aid of NaI. The experimental results indicated that the I⁻ anion played a key role in increasing the SiO₂/Al₂O₃ ratio of MOR. Density functional theory calculations (DFT) indicated that I⁻ facilitated the formation of Si-O-Si bonds (significantly decreasing free energy barriers for the formation of Si-O-Si bonds by 35.5 kJ mol⁻¹) and hindered the formation of Si-O-Al bonds (increasing free energy barriers for the formation of Si-O-Al bonds by 18.6 kJ mol⁻¹), thus leading to an increase of the SiO₂/Al₂O₃ ratio of zeolites and accelerating the crystallization of zeolites. With this method, we could not only increase the SiO₂/Al₂O₃ ratio of MOR, but also increase the SiO₂/Al₂O₃ ratio of NaY (FAU) and ZSM-5 (MFI).

Original language	English
Pages (from-to)	1293-1299
Number of pages	7
Journal	Inorganic Chemistry Frontiers
Volume	9
Issue number	6
DOIs	https://doi.org/10.1039/d1qi01540k
Publication status	Published - 4 Feb 2022
Externally published	Yes

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title = "An anion-promoted increase of the SiO2/Al2O3 ratio of zeolites†",

abstract = "In this work, we reported a facile strategy to improve the SiO2/Al2O3 ratio of zeolites by introducing NaI as an efficient additive. The SiO2/Al2O3 ratio of MOR was increased by 0.87 with the aid of NaI. The experimental results indicated that the I− anion played a key role in increasing the SiO2/Al2O3 ratio of MOR. Density functional theory calculations (DFT) indicated that I− facilitated the formation of Si-O-Si bonds (significantly decreasing free energy barriers for the formation of Si-O-Si bonds by 35.5 kJ mol−1) and hindered the formation of Si-O-Al bonds (increasing free energy barriers for the formation of Si-O-Al bonds by 18.6 kJ mol−1), thus leading to an increase of the SiO2/Al2O3 ratio of zeolites and accelerating the crystallization of zeolites. With this method, we could not only increase the SiO2/Al2O3 ratio of MOR, but also increase the SiO2/Al2O3 ratio of NaY (FAU) and ZSM-5 (MFI).",

author = "Chang Sun and Wei Chen and Jianyu Wang and Shuang Wang and Zhe Ma and Mengyang Chen and Anmin Zheng and Wenfu Yan and Jihong Yu",

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AU - Sun, Chang

AU - Chen, Wei

AU - Wang, Jianyu

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AU - Ma, Zhe

AU - Chen, Mengyang

AU - Zheng, Anmin

AU - Yan, Wenfu

AU - Yu, Jihong

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N2 - In this work, we reported a facile strategy to improve the SiO2/Al2O3 ratio of zeolites by introducing NaI as an efficient additive. The SiO2/Al2O3 ratio of MOR was increased by 0.87 with the aid of NaI. The experimental results indicated that the I− anion played a key role in increasing the SiO2/Al2O3 ratio of MOR. Density functional theory calculations (DFT) indicated that I− facilitated the formation of Si-O-Si bonds (significantly decreasing free energy barriers for the formation of Si-O-Si bonds by 35.5 kJ mol−1) and hindered the formation of Si-O-Al bonds (increasing free energy barriers for the formation of Si-O-Al bonds by 18.6 kJ mol−1), thus leading to an increase of the SiO2/Al2O3 ratio of zeolites and accelerating the crystallization of zeolites. With this method, we could not only increase the SiO2/Al2O3 ratio of MOR, but also increase the SiO2/Al2O3 ratio of NaY (FAU) and ZSM-5 (MFI).

AB - In this work, we reported a facile strategy to improve the SiO2/Al2O3 ratio of zeolites by introducing NaI as an efficient additive. The SiO2/Al2O3 ratio of MOR was increased by 0.87 with the aid of NaI. The experimental results indicated that the I− anion played a key role in increasing the SiO2/Al2O3 ratio of MOR. Density functional theory calculations (DFT) indicated that I− facilitated the formation of Si-O-Si bonds (significantly decreasing free energy barriers for the formation of Si-O-Si bonds by 35.5 kJ mol−1) and hindered the formation of Si-O-Al bonds (increasing free energy barriers for the formation of Si-O-Al bonds by 18.6 kJ mol−1), thus leading to an increase of the SiO2/Al2O3 ratio of zeolites and accelerating the crystallization of zeolites. With this method, we could not only increase the SiO2/Al2O3 ratio of MOR, but also increase the SiO2/Al2O3 ratio of NaY (FAU) and ZSM-5 (MFI).

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An anion-promoted increase of the SiO₂/Al₂O₃ ratio of zeolites†

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