Abstract
We identify the nucleation pathway for a liquid droplet of a water-like system. In order to calculate the free energy barrier associated with the droplet formation, we use the recently developed μVT-S simulation method to unravel the nucleation process. We analyze the interdependence between droplet size, entropy and free energy of nucleation. Three key features emerge: the droplet size increases as entropy decreases during the process, the nucleation free energy increases as supersaturation decreases, and the nucleation free energy increases as T decreases. This method can be readily applied to calculate free energy barriers of activated events with entropy as the reaction coordinate.
Sign-in/Register to access full text options 
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.
