Abstract:Present work carries the molecular dynamics (MD) simulation to study the self-diffusion coefficients of fructose (C6H12O6) and SPC/E (Extended Simple Point Charge) water (H2O) along with their binary diffusion coefficients at different temperature (298.15 K, 303.15 K, 308.15 K and 312.15 K). A dilute solution of 3 molecules of fructose (solute, mole fraction 0.0018) and 1624 molecules of water (solvent, mole fraction 0.9982) has been taken for making it relevant to the previously reported experiment. The struc… Show more
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