Abstract
A series of molecular dynamics simulations has been performed on a system comprising 256 water molecules and four ethane molecules at 279, 299, 313, 317, 322, 332 and 346 K. Radial distribution functions for the water-water and ethane-water pairs reveal a structuring of the first hydration shell of ethane, while the radial distribution functions for the ethane-ethane pair show a tendency for ethane particles to aggregate with increasing temperature in a small temperature range, with a maximum around 317 K. This behavior is consistent with an emtropy-driven hydrophobic attraction between the nonpolar solutes near room temperature.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
