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Chemistry Letters, Vol.45, No.1, 98-100, 2016
Dynamic Behavior of Mesoscopic Concentration Fluctuations in an Aqueous Solution of 1-Propanol by 1MD Simulation
A simple and direct evaluation method for concentration fluctuation (CF), using molecular dynamics simulation, is presented and applied to Lennard Jones liquid mixtures and an aqueous solution of 1-propanol. The method is intuitive and straightforward, and the results are consistent with those based on the Kirkwood Buff integrals. It enables us to quantitatively and visually observe the time evolution of the mesoscopic CF.