Bering, EivindBedeaux, DickKjelstrup, Signede Wijn, AstridLatella, IvánRubí Capaceti, José Miguel2021-04-082021-04-082020-11-272079-4991https://hdl.handle.net/2445/176057Single-molecular polymers can be used to analyze to what extent thermodynamics applies when the size of the system is drastically reduced. We have recently verified using molecular-dynamics simulations that isometric and isotensional stretching of a small polymer result in Helmholtz and Gibbs stretching energies, which are not related to a Legendre transform, as they are for sufficiently long polymers. This disparity has also been observed experimentally. Using molecular dynamics simulations of polyethylene-oxide, we document for the first time that the Helmholtz and Gibbs stretching energies can be related by a Legendre-Fenchel transform. This opens up a possibility to apply this transform to other systems which are small in Hill's sense.11 p.application/pdfengcc-by (c) Bering, Eivind et al., 2020http://creativecommons.org/licenses/by/3.0/esTermodinàmicaPolímersMolèculesThermodynamicsPolymersMoleculesinfo:eu-repo/semantics/article7089272021-04-08info:eu-repo/semantics/openAccess33260922