Abstract
Classical molecular dynamic simulation was performed on electrolyte system of lithium-montmorillonite/poly(ethylene oxide) to investigate mobility behavior of lithium once it had been absorbed into montmorillonites octahedral site. Temperature of 100, 200, and 300 K were chosen for measurement using canonical ensemble. Phase space information were proceeded to do analysis on diffusion coefficients of lithium atoms and radial distribution function graphs of lithium pair. Results showed a solid-like behavior of lithium indicating its high stability inside montmorillonites octahedral site. Very little movement was observed with slight increase over temperature rise.
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