Molecular simulation of adsorption and diffusion of CH4 and H2O in flexible metal-organic framework ZIF-8
Zeyuan Wang, Yaxue Zhang, Shujun Chen, Yue Fu, Xuejian Li, Jianlin Pei
Topics & Concepts
AdsorptionDiffusionIntergranular corrosionMolecular dynamicsChemistryChemical physicsMaterials scienceChemical engineeringPhysical chemistryThermodynamicsComputational chemistryCrystallographyMicrostructurePhysicsEngineeringMetal-Organic Frameworks: Synthesis and ApplicationsEnhanced Oil Recovery TechniquesHydrocarbon exploration and reservoir analysis