Study of SO2 into nanoporous silica Y Zeolite: Molecular dynamics simulation

Study of SO2 into nanoporous silica Y Zeolite: Molecular dynamics simulation

The dynamic, structure, and thermodynamic properties of sulfur dioxide guest gas inside nanoporous fixed silica Y zeolite were studied by molecular dynamics simulation at different loadings of SO2 per unit cell and within a range of temperature. At loading 20, greater deviation from Fickian behavior...

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Bibliographic Details
Main Authors: Yalda Sabahi, Mohammad Razmkhah, Fatemeh Moosavi
Format: Article
Language:English
Published: Elsevier 2022-01-01
Series:Results in Chemistry
Subjects:
Porous Y zeolite
Sulfur dioxide
Diffusion
Fickian behavior
Potential of mean force
Online Access:http://www.sciencedirect.com/science/article/pii/S2211715622000029

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http://www.sciencedirect.com/science/article/pii/S2211715622000029

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