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ReaxFF-based molecular dynamics simulation of the impact of potassium on the formation of NH3 during protein pyrolysis

Shuai Guo, Yu Wang, Li Yang, Baizhong Sun, Hongwei Qu, Xingcan Li, Deng Zhao

2024Energy14 citationsDOI

Topics & Concepts

ReaxFFMolecular dynamicsPyrolysisPotassiumChemistryComputational chemistryChemical engineeringMaterials scienceOrganic chemistryEngineeringInteratomic potentialThermochemical Biomass Conversion ProcessesHeat transfer and supercritical fluidsCarbon Nanotubes in Composites
ReaxFF-based molecular dynamics simulation of the impact of potassium on the formation of NH3 during protein pyrolysis | Litcius