In this study, the structure–activity relationships were investigated in converting biomass-derived furfural into cyclopentanone (CPO) or tetrahydrofuran alcohol (THFA) using a rinsing method to modulate the NiCoAl catalyst. Characterization of two catalysts, NiCoAl (without rinsing) and NiCoAl-R (with rinsing), reveals differences in morphology, composition, and acidity. Rinsing induced a transition from agglomerate to layered structure in NiCoAl-R, which exhibited higher acid strength and improved Lewis to Brønsted acid ratio. NiCoAl-R contained a high percentage of metal oxides, while NiCoAl had a high percentage of metallic species on its surface. These distinctions resulted in varied performance in FFA hydrogenolysis, with NiCoAl-R favoring CPO formation and NiCoAl facilitating THFA production. In situ DRIFTS experiments reveals differing furfural sorption states, and DFT calculations highlighted the higher activity of metal oxides in ring-opening reactions. This investigation elucidates the intricate relationship between catalyst properties and performance, offering insights for tailored catalyst design in biomass conversion.

中文翻译：

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通过简单的冲洗工艺，通过 NiCoAl 催化剂定制糠醛氢解的选择性


在本研究中，研究了使用漂洗法将生物质衍生的糠醛转化为环戊酮 （CPO） 或四氢呋喃醇 （THFA） 以调节 NiCoAl 催化剂的构效关系。NiCoAl（无冲洗）和 NiCoAl-R（有冲洗）两种催化剂的表征揭示了形态、成分和酸度的差异。冲洗诱导 NiCoAl-R 从团聚体转变为层状结构，表现出更高的酸强度和更好的 Lewis 与 Brønsted 酸比。NiCoAl-R 含有高百分比的金属氧化物，而 NiCoAl 在其表面含有高百分比的金属种类。这些区别导致 FFA 氢解性能不同，NiCoAl-R 有利于 CPO 的形成，而 NiCoAl 有利于 THFA 的产生。原位 DRIFTS 实验揭示了不同的糠醛吸附状态，DFT 计算突出了金属氧化物在开环反应中的较高活性。这项研究阐明了催化剂特性和性能之间的复杂关系，为生物质转化中的定制催化剂设计提供了见解。