Freely jointed chain models with extensible links

Buche, Michael R.; Silberstein, Meredith N.; Grutzik, Scott J.

doi:10.1103/physreve.106.024502

Freely jointed chain models with extensible links

Journal Article · Mon Aug 15 00:00:00 EDT 2022 · Physical Review. E

DOI:https://doi.org/10.1103/physreve.106.024502· OSTI ID:1887403

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Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Cornell University, Ithaca, NY (United States)

We report analytical relations for the mechanical response of single polymer chains are valuable for modeling purposes, on both the molecular and the continuum scale. These relations can be obtained using statistical thermodynamics and an idealized single-chain model, such as the freely jointed chain model. To include bond stretching, the rigid links in the freely jointed chain model can be made extensible, but this almost always renders the model analytically intractable. Here, an asymptotically correct statistical thermodynamic theory is used to develop analytic approximations for the single-chain mechanical response of this model. The accuracy of these approximations is demonstrated using several link potential energy functions. This approach can be applied to other single-chain models, and to molecular stretching in general.

View Accepted Manuscript (DOE)

Research Organization:: Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); USDOE Laboratory Directed Research and Development (LDRD) Program; National Science Foundation

Grant/Contract Number:: NA0003525

OSTI ID:: 1887403

Report Number(s):: SAND2022-11294J; 709363

Journal Information:: Physical Review. E, Journal Name: Physical Review. E Journal Issue: 2 Vol. 106; ISSN 2470-0045

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Freely jointed chain models with extensible links

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