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Diffusion of fructose in water: a molecular dynamics study
2020
Himalayan Physics
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
doi:10.3126/hp.v9i01.40153
fatcat:as4n3rjgd5b2pn37bigbnk5uce