A cyclic process of selective adsorption-reactive regeneration over bifunctional Z-sorb was proposed for desulfurization of heavy mercaptan from gasoline under ambient conditions. A pronounced adsorption capacity (25.7 mg-S/g-adsorbent) and selectivity (206.1, ~10 times over 1-hexene) of heptanethiol over bifunctional Z-sorb were achieved, which can be attributed to the strong adsorbate–adsorbent interaction calculated as high as −44.6 kJ/mol. Catalytic reactive regeneration was proposed to remove stubbornly adsorbed heptanethiol, which achieved complete recovery of Z-sorb in multiple cycles under room temperature. With the aid of minor H₂O₂, the strongly adsorbed heptanethiol in the form of metal-thiolate (Zn-SR) transformed to readily desorbed disulfide, which was elucidated via the combined experiment and density functional theory calculations. The developed process provides insights to resolve the trade-off between adsorption selectivity and regenerability, paving the way for energy-efficient industrial adsorptive de-mercaptan of gasoline.

中文翻译：

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循环选择性吸附-反应再生室温超深度脱硫硫醇

提出了一种在双功能Z-sorb 上选择性吸附-反应再生的循环过程，用于在环境条件下从汽油中脱硫重硫醇。庚硫醇在双功能 Z-吸附剂上具有显着的吸附容量（25.7 mg-S/g-吸附剂）和选择性（206.1，比 1-己烯约 10 倍），这可归因于强吸附质-吸附剂相互作用，计算为高达-44.6 kJ/mol。提出催化反应再生去除顽固吸附的庚硫醇，在室温下多次循环实现Z-sorb完全回收。借助少量 H ₂ O ₂，强烈吸附的庚硫醇以金属硫醇盐 (Zn-SR) 的形式转化为易于解吸的二硫化物，通过结合实验和密度泛函理论计算阐明了这一点。所开发的工艺为解决吸附选择性和可再生性之间的权衡提供了见解，为汽油的节能工业吸附脱硫醇铺平了道路。