Abstract

Molecular dynamics simulations have been performed to get some insight into the dynamical properties of supercooled ethanol. The temperature dependence of translational and reorientational dynamics of the system has been analyzed. For all the correlators under study, a two-step relaxation behavior has been encountered. For short times, there is an initial Gaussian decay. For very long times, the relaxation shows a nonexponential dependence. For intermediate times and for temperatures close to a critical temperature, a nondiffusive regime appears (β relaxation). The predictions of the ideal version of the mode-coupling theory have been tested and a reasonable agreement has been found for the dynamics of the molecular centers-of-mass.

Full Text
Paper version not known

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 call

Disclaimer: 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.