Molecular dynamic simulation studies of adsorption and diffusion behaviors of methanol and ethanol through ZSM-5 zeolite

Zahra Keyvanloo, Ali Nakhaei Pour, Fatemeh Moosavi, Seyed Mehdi Kamali Shahri

2021Journal of Molecular Graphics and Modelling35 citationsDOI

Topics & Concepts

MethanolAdsorptionChemistryZeoliteMolecular dynamicsEthanolMoleculeDiffusionSelectivityThermodynamicsPhysical chemistryOrganic chemistryChemical engineeringComputational chemistryCatalysisPhysicsEngineeringZeolite Catalysis and SynthesisCatalytic Processes in Materials ScienceMesoporous Materials and Catalysis