Mercury removal mechanism of mechanochemical sulfur modified straw coke: Density functional theory calculation and kinetic fitting
Shilin Zhao, Kang Sun, Siqi Zhang, Yanqun Zhu, Jun Zhang, Zhiqiang Sun, Zhiqiang Sun
Topics & Concepts
CokeSulfurDensity functional theoryMercury (programming language)Kinetic energyChemistryThermodynamicsStrawComputational chemistryInorganic chemistryOrganic chemistryClassical mechanicsPhysicsComputer scienceProgramming languageMercury impact and mitigation studiesnanoparticles nucleation surface interactionsCoal and Its By-products