糠醛
呋喃
催化作用
氢解
化学
选择性
吸附
金属
有机化学
离解(化学)
戒指(化学)
摩尔比
多相催化
氧化物
无机化学
分解
过渡金属
氧气
糠醇
催化剂载体
高分子化学
密度泛函理论
作者
Yongjia Liang (20939495),Jianliang Zuo (10660691),Zhaohao Cai (20939498),Weican Huang (20939501),Jing Lin (50818),Zili Liu (289909)
出处
期刊:
[Figshare (United Kingdom)]
日期:2025-03-26
标识
DOI:10.1021/acs.iecr.4c04382.s001
摘要
The ability to effectively control furan ring opening is the key to transforming furfural into 1,5-pentanediol. Herein, a series of Co-based catalysts modified with rare-earth metals (Y, Pr, La, and Ce) were synthesized. It was found that Y-modified Co-based catalyst with a Co/Y molar ratio of 3.5/0.5 exhibited the highest selectivity for 1,5-pentanediol (53.7%) at 150 °C and 4 MPa H2 in isopropanol (time = 5 h). Coordination between Co and Y in the catalyst resulted in more CoOx and oxygen vacancies, which are vital factors for cleaving the C–O bond of the furan ring. In addition, highly dispersed small-sized Co0 particles on the catalyst surface could boost the dissociation of H2 molecules, which attacked the carbonyl group in the furan ring of furfural to afford 1,5-pentanediol. Density functional theory calculations revealed that the presence of CoOx/Y2O3 oxide interfaces promoted adsorption of furfural (especially via the furan ring) and hydrogenolysis during the hydrogenation process. Modifying a Co-based catalyst with rare-earth metals offers a novel approach for producing 1,5-pentanediol from furfural.
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