Molecular dynamics simulation for structural evolution of mixed ash from coal and wheat straw

HIGHLIGHTS

• who: Hengsong Ji and colleagues from the School of Energy and Power Engineering, Jiangsu University, Zhenjiang, China have published the article: Molecular Dynamics Simulation for Structural Evolution of Mixed Ash from Coal and Wheat Straw, in the Journal: Processes 2022, 9, x FOR PEER REVIEW of /2022/
• what: The authors carried out MD simulations to investigate the effect of wheat straw (WS) content (varied from 0 to 100 wt%) on the structural properties of ash slag, including the radial distribution functions (RDF), mean square displacement (MSD), coordination numbers (CN), distribution of oxygen types, distribution of . . .
  

   

  

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