Effects in the performance of bimetallic catalysts for the hydrogenation of amides to amines: From experimental to data-driven insights

IF 5.2 2区化学 Q1 CHEMISTRY, APPLIED

Catalysis Today Pub Date : 2025-07-16 DOI:10.1016/j.cattod.2025.115467

Jorge A. Delgado , Akira Yada , Raphael Wischert , Stephane Streiff

引用次数: 0

Abstract

This work evaluates the impact of various parameters on bimetallic catalysts in the hydrogenation of amides to amines, using systematic experimental and data-driven methods. Bimetallic catalysts were synthesized via a sequential wet impregnation approach and tested on the hydrogenation of N,N-dimethyldodecanamide to N,N-dimethyldodecanamine. The choice of metal precursors, supports, and the oxophilic metal significantly influenced the catalytic performance. Data-driven analysis indicates that oxophilic metals with large electronegativity and weak O adsorption display higher conversion, whereas those with large enthalpy of fusion exhibit higher amine selectivity.

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双金属催化剂对酰胺加氢制胺性能的影响：从实验到数据驱动的见解

本研究采用系统实验和数据驱动的方法，评估了各种参数对双金属催化剂在酰胺加氢制胺过程中的影响。采用顺序湿浸渍法合成了双金属催化剂，并对N，N-二甲基十二烷酰胺加氢制备N，N-二甲基十二烷胺进行了测试。金属前驱体、载体和亲氧金属的选择对催化性能有显著影响。数据驱动分析表明，具有较大电负性和弱O吸附的亲氧金属具有较高的转化率，而具有较大融合焓的亲氧金属具有较高的胺选择性。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Catalysis Today 化学-工程：化工

CiteScore

11.50

自引率

3.80%

发文量

573

审稿时长

2.9 months

期刊介绍： Catalysis Today focuses on the rapid publication of original invited papers devoted to currently important topics in catalysis and related subjects. The journal only publishes special issues (Proposing a Catalysis Today Special Issue), each of which is supervised by Guest Editors who recruit individual papers and oversee the peer review process. Catalysis Today offers researchers in the field of catalysis in-depth overviews of topical issues. Both fundamental and applied aspects of catalysis are covered. Subjects such as catalysis of immobilized organometallic and biocatalytic systems are welcome. Subjects related to catalysis such as experimental techniques, adsorption, process technology, synthesis, in situ characterization, computational, theoretical modeling, imaging and others are included if there is a clear relationship to catalysis.