Frontiers in Chemistry ( IF 3.8 ) Pub Date : 2020-09-03 , DOI: 10.3389/fchem.2020.550862 The Thuong Nguyen , Claire Pétuya , David Talaga , Arnaud Desmedt
Among hydrogen storage materials, hydrogen hydrates have received a particular attention over the last decades. The pure hydrogen hydrate is generated only at extremely high-pressure (few thousands of bars) and the formation conditions are known to be softened by co-including guest molecules such as tetrahydrofuran (THF). Since this discovery, there have been considerable efforts to optimize the storage capacities in hydrates through the variability of the formation condition, of the cage occupancy, of the chemical composition or of the hydrate structure (ranging from clathrate to semi-clathrate). In addition to this issue, the hydrogen insertion mechanism plays also a crucial role not only at a fundamental level, but also in view of potential applications. This paper aims at studying the molecular hydrogen diffusion in the THF hydrate by
中文翻译:
借助酸性添加剂促进四氢呋喃水合物中分子氢的插入
在过去的几十年中,在储氢材料中,水合氢受到了特别的关注。纯水合氢仅在极高的压力(几千巴)下产生,并且已知形成条件会由于共包含客体分子(例如四氢呋喃(THF))而软化。自从这一发现以来,人们一直在努力通过形成条件,网箱占用率,化学组成或水合物结构(从包合物到半包合物)的变化来优化水合物的储存能力。除了这个问题,氢的插入机制不仅在基本层面上,而且在潜在应用方面,都起着至关重要的作用。本文旨在研究分子氢在四氢呋喃水合物中的扩散。