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The binary system of the ionic liquid (IL) N-butylpyridinium tetrafluoroborate ([BPy][BF4]) and acetonitrile (MeCN) was investigated by molecular dynamics simulation method. The thermodynamic properties of the mixture were obtained by simulation including density, self-diffusion coefficients, viscosity, and vaporization enthalpy. This study focused on the relationship between the microscopic structure...
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