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- W4379524056 abstract "Outstanding and unique properties of MOFs have highlighted their effectiveness in gas storage and transportation especially in H2 gas adsorption and transportation for green energy conversion. The objective of this study is, to discuss the effect of temperature toward H2 adsorption inside MOF-5 through molecular dynamics simulation and also, to obtain the atomic properties of the gas adsorption that is not attainable from the experimental work. Solvation-free energy is computed to calculate the adsorption of H2 inside MOF-5 framework in GROMACS package, followed by Henry’s law constant calculation to determine the gas solubility trend based on the gas solubility principle. The outcomes of the analysis will be used as the reference for the future design and modification of MOF-5 for H2 adsorption and storage." @default.
- W4379524056 created "2023-06-07" @default.
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- W4379524056 date "2023-01-01" @default.
- W4379524056 modified "2023-09-27" @default.
- W4379524056 title "Effect of Temperature on the Hydrogen Adsorption and Transportation Inside MOF-5 Through Molecular Dynamics Simulation" @default.
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- W4379524056 doi "https://doi.org/10.1007/978-981-99-0859-2_11" @default.
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