Orientational correlation function and persistence lengths of flexible polyelectrolytes
(2002) In Macromolecules 35(4). p.14371445 Abstract
 Orientational correlation functions have been obtained from Monte Carlo simulations of long, freely jointed chains (1000 monomers and more) with screened Coulomb interactions truncated after a certain number of bonds. This makes it possible to study chainlength dependence without "end effects" and to display excludedvolume effects. These correlation functions form the basis for a discussion of the conformational response to electrostatic interactions. In particular, they are related to the concept of electrostatic persistence length and the correlation functions illustrate the differences between different definitions of persistence length. To facilitate future discussions, we have identified four types of definitions and given them... (More)
 Orientational correlation functions have been obtained from Monte Carlo simulations of long, freely jointed chains (1000 monomers and more) with screened Coulomb interactions truncated after a certain number of bonds. This makes it possible to study chainlength dependence without "end effects" and to display excludedvolume effects. These correlation functions form the basis for a discussion of the conformational response to electrostatic interactions. In particular, they are related to the concept of electrostatic persistence length and the correlation functions illustrate the differences between different definitions of persistence length. To facilitate future discussions, we have identified four types of definitions and given them separate names: (1.) projection length, which involves: integration of the orientational correlation function; (2) orientational correlation length, which is the decay length of an exponential function; (3) bending coefficient, which is a length representing a bending force constant; and (4) crossover distance, which is the monomermonomer distance at the boundary between a rodlike and a swollen behavior. Previous conclusions that the projection length obeys a power law at high salt concentrations, while the orientational correlation length does not, are confirmed. Furthermore, a power law is also found in the saltfree limit for the projection length corresponding to an infinite chain with a finite range of interactions. The two power laws make it possible to construct a universal curve that gives an almost quantitative description of the chain behavior. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/343380
 author
 Ullner, Magnus ^{LU} and Woodward, Clifford E.
 organization
 publishing date
 2002
 type
 Contribution to journal
 publication status
 published
 subject
 in
 Macromolecules
 volume
 35
 issue
 4
 pages
 1437  1445
 publisher
 The American Chemical Society (ACS)
 external identifiers

 wos:000173799400041
 scopus:0037065929
 ISSN
 00249297
 DOI
 10.1021/ma010863s
 language
 English
 LU publication?
 yes
 id
 8d69fa13e0164091aacb4d99a1168093 (old id 343380)
 date added to LUP
 20160401 11:56:28
 date last changed
 20201227 05:48:03
@article{8d69fa13e0164091aacb4d99a1168093, abstract = {Orientational correlation functions have been obtained from Monte Carlo simulations of long, freely jointed chains (1000 monomers and more) with screened Coulomb interactions truncated after a certain number of bonds. This makes it possible to study chainlength dependence without "end effects" and to display excludedvolume effects. These correlation functions form the basis for a discussion of the conformational response to electrostatic interactions. In particular, they are related to the concept of electrostatic persistence length and the correlation functions illustrate the differences between different definitions of persistence length. To facilitate future discussions, we have identified four types of definitions and given them separate names: (1.) projection length, which involves: integration of the orientational correlation function; (2) orientational correlation length, which is the decay length of an exponential function; (3) bending coefficient, which is a length representing a bending force constant; and (4) crossover distance, which is the monomermonomer distance at the boundary between a rodlike and a swollen behavior. Previous conclusions that the projection length obeys a power law at high salt concentrations, while the orientational correlation length does not, are confirmed. Furthermore, a power law is also found in the saltfree limit for the projection length corresponding to an infinite chain with a finite range of interactions. The two power laws make it possible to construct a universal curve that gives an almost quantitative description of the chain behavior.}, author = {Ullner, Magnus and Woodward, Clifford E.}, issn = {00249297}, language = {eng}, number = {4}, pages = {14371445}, publisher = {The American Chemical Society (ACS)}, series = {Macromolecules}, title = {Orientational correlation function and persistence lengths of flexible polyelectrolytes}, url = {http://dx.doi.org/10.1021/ma010863s}, doi = {10.1021/ma010863s}, volume = {35}, year = {2002}, }