Carbon-dioxide capture by hydroquinone clathrates

Organic clathrates are cheap and ideal candidate materials for the capture and storage of carbon dioxide, owing to a large and particularly stable porous structure combined to a high selectivity toward this molecule. Recent results in the synthesis of guest-free beta-hydroquinone phase could pave the way to the development of this class of compounds in real applications. Nonetheless, a full understanding of the CO2 capture process is still pending. This proposal seeks to investigate, in-situ, the adsorption and desorption mechanism of this fascinating crystal upon variation of pressure and temperature. To this end, we would need SXD fitted with the CCR and gas-pressure cell to perform experiments on single-crystals of beta-hydroquinone. This results, in combination with other computational and scattering techniques, will give us full access to the structure and its deformation as the CO2 is captured by the clathrate.

有机笼形包合物（organic clathrates）因其具有大而特别稳定的多孔结构，且对二氧化碳分子具有高选择性，是捕获和储存二氧化碳的廉价且理想的候选材料。无客体β-对苯二酚相的合成研究最新成果，有望为这类化合物在实际应用中的发展铺平道路。然而，对二氧化碳捕获过程的全面理解仍有待深入。本提案旨在原位研究这种极具吸引力的晶体在压力和温度变化下的吸附与解吸机制。为此，我们需要配备CCR和气压室的SXD设备，对β-对苯二酚单晶进行实验。这些结果与其他计算和散射技术相结合，将使我们能够全面了解笼形包合物捕获二氧化碳时的结构及其变形情况。