This work investigated the loading of active metals on monolithic carrier NCNTs@FN through simulation and characterization and found that the active metal (Pd) had a stronger binding with NCNTs and a more uniform dispersion. Meanwhile, the π–π stacking effect between NCNTs and polystyrene (PS) molecules is more significant than that between PS and CNTs, making PS more easily adsorbed. Therefore, the highly active catalyst Pd-NCNTs@FN was prepared. The hydrogenation degree of Pd-NCNTs@FN catalyzed PS reached 92.7%, significantly higher than that of Pd-CNTs@FN (78.1%) under the same conditions. Uniform experiments on PS hydrogenation kinetics were designed. Power law and hyperbolic kinetic models were established, and the corresponding parameters were calculated. From the models, it was found that whether H₂ concentration reaches a critical value determines whether H₂ pressure affects the hydrogenation rate. In addition, the adsorption of PS is the rate control step in the reaction. The activation energy of Pd-NCNTs@FN catalyzed PS hydrogenation is 47.326 kJ/mol, which is lower than those of other traditional powder heterogeneous catalysts (50–55 kJ/mol), demonstrating the excellent activity of the catalyst.

中文翻译：

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整体式 Pd-NCNTs@FN 催化剂催化聚苯乙烯加氢的机理和动力学

该工作通过模拟和表征研究了活性金属在整体载体NCNTs@FN上的负载，发现活性金属（Pd）与NCNTs具有更强的结合力和更均匀的分散性。同时，NCNT与聚苯乙烯（PS）分子之间的π-π堆积效应比PS与CNT之间的π-π堆积效应更显着，使得PS更容易被吸附。因此，制备了高活性催化剂Pd-NCNTs@FN。 Pd-NCNTs@FN催化PS的加氢率达到92.7%，显着高于相同条件下Pd-CNTs@FN（78.1%）。设计了 PS 氢化动力学的均匀实验。建立了幂律和双曲线动力学模型，并计算了相应的参数。从模型中发现，H ₂浓度是否达到临界值决定了H ₂压力是否影响加氢速率。此外，PS的吸附是反应中的速率控制步骤。 Pd-NCNTs@FN催化PS加氢的活化能为47.326 kJ/mol，低于其他传统粉末多相催化剂（50~55 kJ/mol），表现出催化剂优异的活性。