High-Throughput Analysis of Materials for Chemical Looping Processes: Article No. 2000685

Nicholas Singstock, Christopher Bartel, Aaron Holder, Charles Musgrave

Research output: Contribution to journalArticlepeer-review

17 Scopus Citations

Abstract

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.
Original languageAmerican English
Number of pages11
JournalAdvanced Energy Materials
Volume10
Issue number27
DOIs
StatePublished - 2020

NREL Publication Number

  • NREL/JA-5K00-77266

Keywords

  • chemical looping
  • high-throughput screening
  • machine learning
  • redox catalysis

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