Modeling studies on photochemical combustion reversal: using H2O to hydrogenate CO2

任何燃料或任何有机物质的燃烧都会从大气中吸收氧气并产生二氧化碳和水。利用光化学输入可以恢复这一过程。换句话说，在适当的催化剂的存在下，CO2和H2O的照射能够释放氧气并重组有机材料，而有机材料又可以用作标准发动机或燃料电池的燃料。实现这种显著转变的可能性仅局限于微观尺度和极少数选择性系统。最近的文献表明，至少有可能将选择性提高到理想水平。然而不幸的是，到目前为止，这些引人注目的过程的活动和规模还没有超过实验室的规模。我们提出了一种机制/建模研究，旨在理解现有系统之一。我们特别选择了基于BiVO4的光系统，因为它不需要任何电化学输入来生产乙醇。本项目分为三个子项目，分别针对：

Combustion of any fuel, or of any organic material, uptakes oxygen from the atmosphere and generates CO2 and H2O. It is possible to revert the process by using a photochemical input. In other words, the irradiation of CO2 and H2O and in the presence of an appropriate catalyst is capable of releasing oxygen gas and reforming organic material, which in turn can be used as a fuel for standard engines or fuel cells. The possibility of performing such a remarkable transformation is solely limited to micro-scale and a very few selective systems. Recent literature claims indicated that it is at least possible to improve the selectivity to ideal level. Unfortunately though, the activity and scale of such remarkable processes so far do not exceed the lab scale. We propose a mechanistic/modeling study aiming at understanding one of the existing systems. In particular we have selected the photosystem based on BiVO4 due to the fact that it does not require any electrochemical input for the production of ethanol. The project is organized in three sub-projects aiming respectively at: