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Adsorption and diffusion behavior of CO2/H2 mixture in calcite slit pores: A molecular simulation study

Xinxin Deng, Quanguo Zhang, Zhiping Zhang, Qibin Li, Xiangyang Liu

2021Journal of Molecular Liquids57 citationsDOI

Topics & Concepts

CalciteAdsorptionDiffusionChemistryMolecular dynamicsThermodynamicsSurface diffusionGaseous diffusionPorous mediumPorosityPhysical chemistryMineralogyOrganic chemistryComputational chemistryPhysicsElectrodeCarbon Dioxide Capture TechnologiesMetal-Organic Frameworks: Synthesis and ApplicationsHeat and Mass Transfer in Porous Media
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