This contribution investigate the effect of parameters for production of hydrogen by catalytic dehydrogenation of perhydrodibenzyltoluene (H18-DBT). The sensitivity of the dehydrogenation reaction to temperature (290–320 °C) is justified by an increase in degree of dehydrogenation (DoD) from 40 to 90% when using 1 wt % Pt/Al₂O₃ catalyst. However, the increase in temperature increases the hydrogen production rate and decreases the hydrogen purity by increasing the formation of by-products. In addition, the DoD of 96% is obtained when 2 wt % Pt/Al₂O₃ is used at 320 °C. The DoD obtained for Pd, Pt, and Pt–Pd catalysts is 11, 82 and 6%, respectively. Therefore, Pd is not a metal of choice for dehydrogenation of H18-DBT, in both monometallic and bimetallic system. The ab-initio density functional theory (DFT) calculations are consistent with this observation. Furthermore, dehydrogenation of H18-DBT followed 1st order reaction kinetics and the activation energies for 1 wt % Pt/Al₂O₃, 1 wt % Pd/Al₂O₃ and 1:1 wt % Pt–Pd/Al₂O₃ catalysts are: 205, 84 and 66 kJ/mol, respectively.

该贡献研究了通过全氢二苄基甲苯（H18-DBT）催化脱氢制氢参数的影响。当使用1 wt％的Pt / Al ₂ O ₃催化剂时，脱氢度（DoD）从40％增加到90％，证明了脱氢反应对温度（290-320°C）的敏感性。然而，温度的升高通过增加副产物的形成而增加了氢的产生速率并降低了氢的纯度。此外，当Pt / Al ₂ O _3为2 wt％时，获得96％的DoD。在320°C下使用。对于Pd，Pt和Pt-Pd催化剂获得的DoD分别为11、82和6％。因此，在单金属和双金属体系中，Pd都不是H18-DBT脱氢的选择金属。从头计算密度泛函理论（DFT）的计算与该观察结果一致。此外，H18-DBT的脱氢反应遵循一级反应动力学和1 wt％Pt / Al ₂ O _3，1 wt％Pd / Al ₂ O ₃和1：1 wt％Pt–Pd / Al ₂ O ₃的活化能催化剂分别是：205、84和66kJ / mol。