Screening of zeolites for H2S adsorption in mixed gases: GCMC and DFT simulations
Leqian Song, Xuesen Du, Yanrong Chen, Zhongqing Yang, Jingyu Ran, Guangpeng Yang, Qiao Shi, Zongguo Xue
Topics & Concepts
AdsorptionZeoliteDensity functional theoryFlue-gas desulfurizationMoleculeChemistrySaturation (graph theory)Chemical engineeringAtmospheric pressureThermodynamicsMCM-41Physical chemistryMaterials scienceMolecular sieveComputational chemistryCatalysisOrganic chemistryCombinatoricsOceanographyGeologyEngineeringPhysicsMathematicsIndustrial Gas Emission ControlMetal-Organic Frameworks: Synthesis and ApplicationsCatalysis and Hydrodesulfurization Studies