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Density functional theory study of the heterogenous interaction between char-bound nitrogen and CO2 during oxy-fuel coal combustion

Shanhui Zhao, Rongyue Sun, Xiaolong Bi, Xiaojun Pan, Yi Su

2020Combustion and Flame32 citationsDOI

Topics & Concepts

CharChemisorptionChemistryCombustionExothermic reactionDensity functional theoryCoalThermodynamicsPhysical chemistryComputational chemistryAdsorptionOrganic chemistryPhysicsCatalytic Processes in Materials ScienceThermochemical Biomass Conversion ProcessesCombustion and flame dynamics
Density functional theory study of the heterogenous interaction between char-bound nitrogen and CO2 during oxy-fuel coal combustion | Litcius