New adsorbents for natural gas storage

用于天然气储存的新型吸附剂

• 批准号: 1623324
• 金额: --
• 依托单位: University of Cambridge
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2015
• 资助国家: 英国
• 起止时间: 2015 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-1623324
• 关键词: New; adsorbents; natural; gas; storage

The project lies at the interface between chemical engineering and physical chemistry, and focuses in the use of porous MOFs, one of the most exciting developments in recent porous materials science, for gas storage under the activities of Shell. The approach is based in the use of high-throughput grand canonical Monte Carlo (GCMC) molecular simulations to screen a series of MOF candidates and identify the structure-property relations for the given application. The identification of optimal materials will allow us to proceed with the experimental synthesis, characterisation and performance analysis. The principal question for this project is: How do the different building blocks and topologies influence the adsorption performance? Key questions include: What are the most appropriate structures, pore shapes and windows sizes for these applications? Are these materials stable enough?

该项目位于化学工程和物理化学之间的交叉点，重点关注多孔 MOF 的使用，这是近年来多孔材料科学中最令人兴奋的发展之一，在壳牌的活动下用于气体储存。该方法基于使用高通量正则蒙特卡罗 (GCMC) 分子模拟来筛选一系列 MOF 候选物并确定给定应用的结构-性能关系。确定最佳材料将使我们能够继续进行实验合成、表征和性能分析。该项目的主要问题是：不同的构建块和拓扑如何影响吸附性能？关键问题包括：最适合这些应用的结构、孔径形状和窗口尺寸是什么？这些材料足够稳定吗？