Rotationally controlled gas-surface reactions

旋转控制的气体表面反应

• 批准号: MR/X03609X/1
• 负责人: Helen Chadwick
• 金额: $ 127.7万
• 依托单位: Swansea University
• 依托单位国家: 英国
• 项目类别: Fellowship
• 财政年份: 2024
• 资助国家: 英国
• 起止时间: 2024 至 无数据
• 项目状态: 未结题
• 来源: https://gtr.ukri.org/projects?ref=MR%2FX03609X%2F1
• 关键词: Rotationally; controlled; gas; surface; reactions

Hydrogen (H2) is the most abundant molecule in the universe, and its interaction with surfaces plays a pivotal role in many applications, from the formation of stars and the safe storage of rocket fuel, to hydrogen fuel cells and industrial catalysis. Despite also being the simplest molecule in existence, we do not yet have an accurate predictive understanding of the interaction of H2 with even the simplest solid surfaces. As such, to improve our knowledge and understanding, carefully controlled experiments are required which probe the collisions of H2 with surfaces at a fundamental, molecular level. There are several factors that can determine the outcome of these collisions, including how fast the molecule is travelling and how it is rotating with respect to the surface, as well as the material the surface is made from and the surface temperature. Experiments which can independently vary each of these (and other) factors will provide the most detailed insight into this gas-surface collision, as they probe the role each factor plays, remove the need for averaging and the uncertainty this leads to, and provide the most stringent tests of theoretical models that must accurately reproduce these carefully controlled experiments.In this project the rotational orientation of hydrogen molecules, which can be considered to correspond to whether the molecule is rotating like a helicopter or a cartwheel, will be controlled and manipulated to determine whether this parameter can be used to control the reactivity of H2 in collisions with a surface. These measurements will be performed using a unique and novel magnetic manipulation experimental apparatus and technique, that is based within the Department of Chemistry at Swansea University, to control the rotational orientation of H2 molecules in scattering experiments. The results of these experiments will provide the first quantitative insight into the effect the rotational orientation of H2 has on the probability the molecule dissociates when it collides with a surface. The project will also explore how the rotational orientation of H2 changes the transfer of energy between the molecule and the surface. This energy transfer process is an important step for trapping a molecule on a surface and correspondingly changes reaction probabilities, yet its relation to the rotational orientation of the molecule was so far inaccessible to previous experiments. Finally, having established the methodology for collisions on H2, the apparatus and technique will be further developed for small polyatomic molecules such as methane. The results from all of the project will be invaluable in the quest to develop accurate theoretical models of gas-surface reactions.

氢（H2）是宇宙中最丰富的分子，其与表面的相互作用在许多应用中起着关键作用，从恒星的形成和火箭燃料的安全存储到氢燃料电池和工业催化。尽管也是现有的最简单的分子，但我们尚未对H2与最简单的固体表面的相互作用具有准确的预测性理解。因此，为了提高我们的知识和理解，需要精心控制的实验，以探测H2与基本分子水平的表面的碰撞。有几个因素可以确定这些碰撞的结果，包括分子的传播速度以及其相对于表面的旋转方式以及表面由表面温度和表面温度制成的材料。可以独立改变这些（和其他）因素的实验将提供对这种气体表面碰撞的最详细的见解，因为它们探测了每个因素的作用，消除了对平均的需求，并导致的不确定性，并提供了最严格的理论测试，这些模型必须准确地考虑这些既可以对这些旋转的旋转式的旋转式的旋转构造，又可以准确地将旋转的旋转构造构成。分子像直升机或手推车一样旋转，将受到控制和操纵，以确定是否可以使用此参数来控制H2在与表面碰撞中的反应性。这些测量将使用独特的新型磁性操纵实验设备和技术进行，该设备和技术基于斯旺西大学化学系，以控制散射实验中H2分子的旋转方向。这些实验的结果将对H2的旋转方向对分子与表面碰撞时的概率产生的影响提供第一个定量见解。该项目还将探讨H2的旋转方向如何改变分子和表面之间的能量转移。这种能量转移过程是将分子捕获在表面上并相应地改变反应概率的重要步骤，但是它与分子的旋转方向的关系到目前为止无法获得以前的实验。最后，在建立了H2碰撞的方法之后，该设备和技术将进一步开发用于小型多原子分子（例如甲烷）。所有项目的结果将是无价的，以开发出气体表面反应的准确理论模型。