Synergy of pore size and silanols in an -SVR-type zeolite for efficient dynamic benzene/cyclohexane separation

doi:10.1038/s41467-024-52385-4

	Synergy of pore size and silanols in an -SVR-type zeolite for efficient dynamic benzene/cyclohexane separation
	Fan YQ(范亚奇)1 ; Tang XM(唐晓敏)2; Hu JY(胡俊逸)1 ; Ma Y(马野)1 ; Yang JB(杨佳宝)3; Liu FQ(刘凤庆)2; Yi XF(易先锋)2; Liu ZQ(刘志强)4; Song LJ(宋丽娟)3; Zheng AM(郑安民)2,4; Ma YH(马延航)1
	2024-09-11
发表期刊	NATURE COMMUNICATIONS (IF:14.7[JCR-2023],16.1[5-Year])
EISSN	2041-1723
卷号	15 期号:1
发表状态	已发表
DOI	10.1038/s41467-024-52385-4
摘要	The efficient purification of cyclohexane is critical, serving as an essential feedstock to produce resins, nylon fibers and pharmaceutical intermediates. However, efficient purification remains a challenging task due to the similarity of cyclohexane and benzene molecules in terms of size and boiling point. In this work, we reported on the synergy of pore size and silanols inside an -SVR-type zeolite for the efficient production of ultrapure cyclohexane (benzene <1 ppm) from benzene/cyclohexane mixture. Under ambient conditions, the SSZ-74 zeolite demonstrated the highest mass-based productivity of 14.5 L/kg for ultrapure cyclohexane among several common zeolites with a considerable dynamic selectivity of similar to 9.5. The separation ability was evaluated through density functional theory (DFT) calculations and ab initio molecular dynamics (AIMD) simulations. The unique ordered silanols inside the zeolite frameworks demonstrated strong but reversible interactions with benzene through SiOH center dot center dot center dot pi interactions, as revealed by in situ Fourier Transform infrared (FTIR) spectra.
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收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation of China (National Science Foundation of China)[2022YFA1506000] ; National Key R&D Program of China["22222108","22302124","12027804"]
WOS研究方向	Science & Technology - Other Topics
WOS类目	Multidisciplinary Sciences
WOS记录号	WOS:001335556400020
出版者	NATURE PORTFOLIO
引用统计	正在获取...
文献类型	期刊论文
条目标识符	https://kms.shanghaitech.edu.cn/handle/2MSLDSTB/421461
专题	物质科学与技术学院_博士生物质科学与技术学院_PI研究组_马延航组
共同第一作者	Tang XM(唐晓敏); Hu JY(胡俊逸); Ma Y(马野)
通讯作者	Ma Y(马野); Zheng AM(郑安民); Ma YH(马延航)
作者单位	1.上海科技大学 2.中国科学院武汉物理与数学研究所 3.辽宁石油化工大学 4.武汉理工大学
第一作者单位	上海科技大学
通讯作者单位	上海科技大学
第一作者的第一单位	上海科技大学
推荐引用方式 GB/T 7714	Fan YQ,Tang XM,Hu JY,et al. Synergy of pore size and silanols in an -SVR-type zeolite for efficient dynamic benzene/cyclohexane separation[J]. NATURE COMMUNICATIONS,2024,15(1).
APA	Fan YQ.,Tang XM.,Hu JY.,Ma Y.,Yang JB.,...&Ma YH.(2024).Synergy of pore size and silanols in an -SVR-type zeolite for efficient dynamic benzene/cyclohexane separation.NATURE COMMUNICATIONS,15(1).
MLA	Fan YQ,et al."Synergy of pore size and silanols in an -SVR-type zeolite for efficient dynamic benzene/cyclohexane separation".NATURE COMMUNICATIONS 15.1(2024).