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Simulation of vapor-liquid coexistence in finite volumes: A method to compute the surface free energy of droplets

✍ Scribed by Schrader, Manuel; Virnau, Peter; Binder, Kurt

Book ID
120941249
Publisher
The American Physical Society
Year
2009
Tongue
English
Weight
617 KB
Volume
79
Category
Article
ISSN
1063-651X

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## Abstract A new method is presented to identify the truly interfacial molecules at fluid/fluid interfaces seen at molecular resolution, a situation that regularly occurs in computer simulations. In the new method, the surface is scanned by moving a probe sphere of a given radius along a large set