Experimental and molecular simulation studies on adsorption and diffusion of elemental mercury in flexible UiO-66
Yueyang Xu, Hu Qi, Konglu Guo, Jianming Xue, Fahua Zhu, Zhaoping Zhong, Yongping Zeng
Topics & Concepts
AdsorptionMolecular dynamicsDiffusionMoleculeChemistryFlue gasDensity functional theoryChemical physicsPorosityMercury (programming language)TetrahedronThermodynamicsPhysical chemistryComputational chemistryMaterials scienceCrystallographyOrganic chemistryPhysicsComputer scienceProgramming languageMercury impact and mitigation studiesToxic Organic Pollutants ImpactAir Quality and Health Impacts