High‐Throughput Analysis of Materials for Chemical Looping Processes
High‐Throughput Analysis of Materials for Chemical Looping Processes
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DOI：
10.1002/aenm.202000685
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发表时间：
2020-02
影响因子：
27.8
通讯作者：
Nicholas R. Singstock;Christopher J. Bartel;A. Holder;C. Musgrave
中科院分区：
文献类型：
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作者：
Nicholas R. Singstock;Christopher J. Bartel;A. Holder;C. Musgrave
化学循环是一种很有前途的方法，可以提高许多工业化学过程的能源效率。然而，现代化学链技术的一个主要限制是缺乏合适的活性材料来介导所涉及的子反应。合适材料的识别历来受到高温（>600 °C）热化学数据稀缺的限制，以评估候选材料。一个准确的热力学方法是证明在这里快速识别活性物质，这是适用于各种各样的化学循环化学。这种分析化学链燃烧的应用正确分类17/17实验研究的氧化还原材料的可行性，并确定了超过1300有前途的，但以前未研究的活性材料。通过分析介导一种新的化学循环过程的氧化还原对来进一步证明这种方法，该化学循环过程用于从粗硫和空气生产纯SO2，其可以提供更有效和更低排放的硫酸途径。确定了12种有前途的氧化还原材料，其中两种得到了先前对其各自氧化和还原反应的实验研究的支持。这种方法为将工艺设计与高通量材料发现相结合提供了必要的基础，以加速各种化学循环技术的创新和开发。
Chemical looping is a promising approach for improving the energy efficiency of many industrial chemical processes. However, a major limitation of modern chemical looping technologies is the lack of suitable active materials to mediate the involved subreactions. Identification of suitable materials has been historically limited by the scarcity of high‐temperature (>600 °C) thermochemical data to evaluate candidate materials. An accuratethermodynamic approach is demonstrated here to rapidly identify active materials which is applicable to a wide variety of chemical looping chemistries. Application of this analysis to chemical looping combustion correctly classifies 17/17 experimentally studied redox materials by their viability and identifies over 1300 promising yet previously unstudied active materials. This approach is further demonstrated by analyzing redox pairs for mediating a novel chemical looping process for producing pure SO2 from raw sulfur and air which could provide a more efficient and lower emission route to sulfuric acid. 12 promising redox materials for this process are identified, two of which are supported by previous experimental studies of their individual oxidation and reduction reactions. This approach provides the necessary foundation for connecting process design with high‐throughput material discovery to accelerate the innovation and development of a wide range of chemical looping technologies.