The effect of H₂O₂ desorption on the direct synthesis of H₂O₂ from H₂ and O₂ over Pd-TiO₂(B)/anatase and Pd-anatase has been investigated. The interaction between H₂O₂ and the support has been studied by isothermal microcalorimetry and molecular dynamics (MD) simulation. H₂O₂ desorption from TiO₂(B)/anatase is more facile due to the existence of TiO₂(B). The accelerated H₂O₂ desorption from the catalyst surface can effectively decrease the hydrogenation rate of H₂O₂ over Pd-TiO₂(B)/anatase, which results in a 57% increase in the selectivity of H₂O₂ synthesis.

中文翻译：

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H ₂ O ₂解吸对提高TiO ₂（B）/锐钛矿型负载Pd催化剂直接合成H ₂ O _2的选择性的影响

研究了H ₂ O ₂解吸对Pd-TiO ₂（B）/锐钛矿和Pd-锐钛矿上H ₂和O ₂直接合成H ₂ O _2的影响。已经通过等温微量热法和分子动力学（MD）模拟研究了H ₂ O ₂与载体之间的相互作用。由于TiO ₂（B）的存在，H ₂ O ₂从TiO ₂（B）/锐钛矿解吸的过程更容易。加速的H ₂ O ₂从催化剂表面解吸可有效降低H ₂ O _2相对于Pd-TiO ₂（B）/锐钛矿的氢化速率，这导致H ₂ O ₂合成的选择性增加了57％。