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dc.contributor.authorBering, Eivind
dc.contributor.authorKjelstrup, Signe
dc.contributor.authorBedeaux, Dick
dc.contributor.authorRubi, Miguel
dc.contributor.authorde Wijn, Astrid S.
dc.description.abstractSingle-molecular systems are a test bed to analyze to what extent thermodynamics applies when the size of the system is drastically reduced. Isometric and isotensional single-molecule stretching experiments and their theoretical interpretations have shown the lack of a thermodynamic limit at those scales and the nonequivalence between their corresponding statistical ensembles. This disparity between thermodynamic results obtained in both experimental protocols can also be observed in entropy production, as previous theoretical results have shown. In this work, we present results from molecular dynamics simulations of stretching of a typical polymer, polyethylene-oxide, where this framework is applied to obtain friction coefficients associated with stretching at the two different statistical ensembles for two different system sizes, from which the entropy production follows. In the smallest system, they are different up to a factor of 2, and for the bigger system, the difference is smaller, as predicted. In this way, we provide numerical evidence that a thermodynamic description is still meaningful for the case of single-molecule stretching.en_US
dc.publisherAmerican Chemical Societyen_US
dc.rightsNavngivelse 4.0 Internasjonal*
dc.titleEntropy production beyond the thermodynamic limit from single-molecule stretching simulationsen_US
dc.typePeer revieweden_US
dc.typeJournal articleen_US
dc.source.journalJournal of Physical Chemistry Ben_US
dc.description.localcodeThis is an open access article published under a Creative Commons Attribution (CC-BY) License, which permits unrestricted use, distribution and reproduction in any medium, provided the author and source are cited.en_US

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Navngivelse 4.0 Internasjonal
Except where otherwise noted, this item's license is described as Navngivelse 4.0 Internasjonal