The process used to upgrade natural gas, biogas and refinery-off-gas directly influences the cost of producing the fuel and often requires complex separation strategies and operational systems to remove contaminants such as hydrogen sulfide (H₂S) and carbon dioxide (CO₂). Here we report a fluorinated metal–organic framework (MOF), AlFFIVE-1-Ni, that allows simultaneous and equally selective removal of CO₂ and H₂S from CH₄-rich streams in a single adsorption step. The simultaneous removal is possible for a wide range of H₂S and CO₂ compositions and concentrations of the gas feed. Pure component and mixed gas adsorption, single-crystal X-ray diffraction and molecular simulation studies were carried out to elucidate the mechanism governing the simultaneous adsorption of H₂S and CO₂. The results suggest that concurrent removal of CO₂ and H₂S is achieved via the integrated favourable sites for H₂S and CO₂ adsorption in a confined pore system. This approach offers the prospect of simplifying the complex schemes for removal of acid gases.

用于升级天然气，沼气和炼厂尾气的工艺直接影响燃料的生产成本，并且通常需要复杂的分离策略和操作系统来去除诸如硫化氢（H ₂ S）和二氧化碳（CO ₂）之类的污染物。）。这里，我们报告的氟化金属-有机构架（MOF），AlFFIVE-1-Ni系，其允许同时和同样选择性除去CO的₂和H ₂从CH小号₄在一个单一的吸附步骤的富含流。可以同时去除多种H ₂ S和CO ₂气体进料的组成和浓度。进行了纯组分和混合气体吸附，单晶X射线衍射和分子模拟研究，以阐明控制H ₂ S和CO ₂同时吸附的机理。结果表明，CO ₂和H ₂ S的同时去除是通过在封闭的孔系统中整合H ₂ S和CO ₂吸附的有利位点实现的。该方法提供了简化用于去除酸性气体的复杂方案的前景。