The hydrophobic hydration of methane as a function of temperature from histogram reweighting Monte Carlo simulations
Journal of Chemical Physics, ISSN: 0021-9606, Vol: 114, Issue: 17, Page: 7527-7535
2001
- 15Citations
- 14Captures
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Article Description
The thermodynamic properties of the dissolution of methane in water as a function of temperature is studied using histogram reweighting technique. The temperature dependence of both the free energy of solvation as well as structural information is calculated through reweighting histograms from canaonical and grand canonical Monte Carlo simulations. The enthalpy of solvation is determined through solute-solvent interaction. Hydration free energy is weekly dependent on the temperature due to low temperature sensitivity of the methans-water radial distribution functions.
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