These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


Pubmed for Handhelds

PUBMED FOR HANDHELDS

Search MEDLINE/PubMed

  • Title: A picture of dilute solution behavior of polymers through polyelectrolyte simulation.
    Author: Yamakawa H, Yoshizaki T, Ida D.
    Journal: J Chem Phys; 2013 Nov 28; 139(20):204902. PubMed ID: 24289374.
    Abstract:
    A Monte Carlo (MC) study is made of the persistence length q and the binary cluster integral β (or the excluded-volume strength B) for polyelectrolytes by the use of the discrete Kratky-Porod wormlike chain with hard-core-effective Debye-Hückel electrostatic pair potentials. The quantity q is determined from the initial decay rate of the bond correlation function after preliminary confirmation of the validity of this procedure using the chain with Lennard-Jones pair potentials. The quantity B is determined from the mean-square radius of gyration along with q by the use of the quasi-two-parameter (QTP) excluded-volume theory. They are evaluated for two model cases of polyelectrolytes, sodium hyaluronate as an example of semiflexible polymers and poly(sodium 4-styrenesulfonate) as a typical example of flexible polymers, both in aqueous sodium chloride. The behavior of MC data so obtained for q and B as functions of added salt concentration c is examined in detail, comparing them with the Odijk-Skolnick-Fixman theory of q and the Fixman-Skolnick (FS) theory of B and also with literature experimental data. In particular, the MC values of B are in almost complete agreement with the FS theory for large c, although the latter still overestimates B somewhat for small c. The values of B themselves and also the validity of the QTP theory in general are discussed in comparison with the case of nonionic polymers.
    [Abstract] [Full Text] [Related] [New Search]