电催化厨余废弃物同步转化高值碳基化学品和氢气的分子反应机制研究

批准号:
22008199
项目类别:
青年科学基金项目
资助金额:
24.0 万元
负责人:
苗娇娇
依托单位:
学科分类:
资源、环境与生态化工
结题年份:
2023
批准年份:
2020
项目状态:
已结题
项目参与者:
苗娇娇
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中文摘要
利用富含碳水化合物的厨余废弃物开发清洁能源和高值化学品有助于促进废弃资源的高值化应用,但针对厨余废弃物绿色经济型转化方式的开发还存在很大的挑战。鉴于此,本项目通过电解厨余废弃物同步实现低能产氢和高值碳基化学品的合成。前期研究表明电解厨余废弃物比商业电解水产氢可节约近30%能耗,而碳基化学品合成的相关分子反应机制未被深入研究,难以实现相应催化工程的设计、控制和经济运转。因此,本项目利用原位分析技术探究电催化氧化反应界面物种的结构对催化效率、产物类型、反应历程的影响规律;并依据密度泛函理论对催化剂表面碳水化合物的吸附活化机制进行多位点、多历程的系统化模拟,计算吸附自由能,揭示反应界面物种结构影响催化效率及反应历程的分子基础。本项目通过构建碳水化合物电催化氧化理论体系,实现绿色、高效的厨余废弃物电化学转化。项目的成功实施将对生物质电催化氧化平台设计及废弃资源的高值化产品开发产生很好的促进作用。
英文摘要
The production of clean energy and commercial chemicals from carbohydrate-rich kitchen waste is conducive to the value-added application of waste resources. In view of this, kitchen waste electrolysis offers a prospect of energy-saving hydrogen production and carbon-based chemicals in this research. The energy consumption of kitchen waste electrolysis was nearly 30% lower than that of commercial water electrolysis for hydrogen evolution, which has been demonstrated by our early study. However, due to the unclear reaction mechanism of the chemicals synthesis, it is difficult to realize the most economical operation for kitchen waste electrolysis. Therefore, the influences of the structures of interface species (catalysts and carbohydrates) on efficiency, products and reactions will be investigated via in-situ analysis technique in this research. In addition, , the adsorption mechanism and free energy of the productions on the surface of catalysts will be calculated based on the density functional theory. The achievement of the reaction and adsorption mechanism will offer a theoretical guidance for the most efficient and rational electrolysis of kitchen waste. Furthermore, the successful implementation of this research will promote the development of biomass electrocatalytic oxidation and high-value applications of waste resources.
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DOI:10.1039/d1cp01842f
发表时间:2022
期刊:Physical Chemistry Chemical Physics
影响因子:--
作者:Xuehua Zhou;Juansu Zhang;Guoliang Bai;Chunhua Wang;Wenxiang He;Xiangnan Sun;Jianli Zhang;Jiaojiao Miao
通讯作者:Jiaojiao Miao
国内基金
海外基金
