Metal-Organic Framework (MOF)-based Adsorbents for Gas Separations in the Petrochemicals Industry

用于石化行业气体分离的金属有机骨架 (MOF) 吸附剂

• 批准号: 1687497
• 金额: --
• 依托单位: University of Manchester
• 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-1687497
• 关键词: Metal; Organic; Framework; MOF; based

Facile separation of Carbon Monoxide (CO) from Dinitrogen (N2) has the opportunity to provide a new supply of CO from flue gases. CO is an important resource due to its use within chemical industry as a stock fed for methanol and other hydrocarbons. Current CO/N2 separation involves energy intense cryogenic separation which is impractical for the flue gas use1. An alternative technique, metal organic frameworks (MOFs), has shown promise in the separation of a number of common gases such as H22, CO23, N24, CH43, water vapour, as well as more exotic toxic gases such as sarin5,6. Some interest has been shown in the separation of CO/N2 however this research has been eclipsed by alternative atmospheric gases. Separation of CO from N2 has been shown to be difficult due to similar chemical characteristics such as boiling point and physical size. Instead we can take advantage of CO's propensity to backbond with metal centres via n-antibonding orbitals. This leads to a logical conclusion that a successful MOF for the separation of CO from N2 will be dependent on the metal centre of the MOF and the amount of accessible metal sites for gas adsorption. Density functional theory (DFT) calculations have shown that a number of metals are of interest for the adsorption of CO7,8 whilst a number of approaches have been shown to create additional accessible metal sites within the structure of the MOF9,10,11. More recently the doping of MOFs with more reactive metal ions has shown increases in the CO selectivity12. Using these ideas as a foundation, we hope to develop a selection of MOFs suitable for the separation of CO from N2 by selectively adsorbing and desorbing CO to provide a high purity resource.

一氧化碳(CO)和氮气(N_2)的简易分离为从烟道气中提供新的CO供应提供了机会。CO是一种重要的资源，因为它在化学工业中用作甲醇和其他碳氢化合物的原料。目前的CO/N_2分离涉及能量密集的低温分离，这对烟气的利用是不切实际的1。另一种替代技术，金属有机骨架(MOF)，在分离一些常见的气体，如H22，CO23，N24，CH43，水蒸气，以及更多的外来有毒气体，如沙林5，6。已表现出一些兴趣在CO/N_2的分离，但这项研究已经被替代的大气气体所掩盖。由于沸点和物理大小等相似的化学特性，从氮气中分离一氧化碳已被证明是困难的。相反，我们可以利用CO通过n-反键轨道与金属中心反向键合的倾向。这导致了一个合乎逻辑的结论，即成功地分离CO和N_2的MOF将取决于MOF的金属中心和可用于气体吸附的金属中心的数量。密度泛函理论(DFT)计算表明，一些金属对吸附CO7，8感兴趣，同时一些方法被证明可以在MoF9，10，11的结构中创建更多可访问的金属中心。最近，在MOF中掺杂更多的活性金属离子，显示出CO选择性的增加。以此为基础，我们希望通过选择性地吸附和解吸CO来提供高纯度的资源，从而开发出一种适合于CO和N_2分离的MOF。