过氧化氢是一种绿色氧化剂，应用于污水处理、精细化学品合成、消毒剂等众多领域。由氢氧直接催化合成过氧化氢是一种理想的绿色化学工艺路线，克服了现有蒽醌法污染严重、成本高等缺点。开发直接合成过氧化氢技术的主要挑战之一在于如何准确确定具有普适特点的反应动力学方程，因为该反应体系涉及气-液-固三相易受传质限制。本项目拟将通过研究直接合成过氧化氢的催化反应动力学，获得本征动力学速率方程、反应活化能及活化熵；揭示在Pd、Au、Pt、PdAu和PdPt等贵金属催化剂上反应速率及选择性的周期性规律；构建催化剂表面吸附物种特性与催化反应动力学的关联；为该反应的工程放大及深刻理解反应机理提供理论依据。

Hydrogen peroxide, as a greener oxidant, has been widely used in wastewater treatment, fine chemical synthesis, and disinfection. Directly catalytic synthesis of hydrogen peroxide from hydrogen and oxygen, considered as an ideal and environmentally benign chemical process, will overcome the drawbacks of the current anthraquinone process with strong pollution and high cost. One of the grand challenges in the development of the direct process is to acquire intrinsic kinetics because this process involves a three phase reaction (gas-liquid-solid) and thus rate measurements are always corrupted by diffusion. This project will focus on the intrinsic kinetic study of direct synthesis of hydrogen peroxide over different noble metal catalysts (Pd, Au, Pt, PdAu, and PdPt). The intrinsic rate equation of true chemical origin and its activation entropy/enthalpy will be measured precisely. The periodic reactivity and selectivity trend of the reaction will be investigated over those catalysts. The connection of kinetics to the thermodynamic properties at catalytic surfaces will be established. This kinetics acquired will deliver a theory fundament for the subsequent scaling-up of this process and the understanding of its mechanism.