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• W2093921556 abstract "Molecular dynamics simulation method was adopted to investigate the synergistic inhibition mechanism of three inhibitor membranes, including ODD–Cl−, ODD–Br− and ODD–I−. The effects of diffusion coefficient, fractional free volume, self-diffusion coefficient and interaction energy on the synergistic inhibition mechanism were studied. The results demonstrated that the value of diffusion coefficient, fractional free volume, self-diffusion coefficient and interaction energy decreased in the order ODD–Cl− > ODD–Br− > ODD–I−. The synergistic inhibition effect increased in the order ODD–Cl− < ODD–Br− < ODD–I−. It agreed well with the previous experimental results." @default.
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• W2093921556 date "2013-07-01" @default.
• W2093921556 modified "2023-09-25" @default.
• W2093921556 title "Synergistic effect between 2-oleyl-1-oleylamidoethyl imidazoline ammonium methylsulfate and halide ion by molecular dynamics simulation" @default.
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• W2093921556 doi "https://doi.org/10.1016/j.comptc.2013.04.001" @default.
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