Abstract/Details

Self-consistent field theory for polyelectrolytes and its applications


2008 2008

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Abstract (summary)

In this work, we have developed a self-consistent field theory (SCFT) for polyelectrolytic systems and studied four important problems of contemporary interest: microphase separation in the melts of charged-neutral diblock copolymers, confinement effects on flexible polyelectrolytes, counterion adsorption on single flexible polyelectrolyte chain and the origin of translocation barriers in polyelectrolytic systems. Using the theory, we have been able to capture the effects of the degree of ionization, salt concentration, electrostatic and the excluded volume interaction strengths, degree of polymerization, role of architecture and solvent quality on these polyelectrolytic systems. Within saddle-point approximation, the polyelectrolyte chain configuration is described as a walk in the presence of fields coming from the excluded volume interactions and the other effects such as incompressibility in addition to the electrostatic potential. The electrostatic potential, on the other hand, is obtained from Poisson-Boltzmann like equation. So, in contrast to the SCFT for neutral polymers, there are two coupled non-linear equations namely modified diffusion equation describing the walk in the fields and the Poisson-Boltzmann equation, which have to be solved self-consistently. In this work, we have developed various numerical schemes to solve these coupled non-linear sets of equations. Furthermore, comparison of the SCFT results with a previous developed variational theory for polyelectrolytes has been carried out. Also, systematic expansions around the saddle-point results have been carried out to capture the effects of the density fluctuations of the small ions in the systems.

Indexing (details)


Subject
Condensed matter physics;
Theoretical physics
Classification
0611: Condensed matter physics
0753: Theoretical physics
Identifier / keyword
Pure sciences, Confinement effects, Counterion condensation, Diblock copolymers, Field theory, Polyelectrolytes, Translocation
Title
Self-consistent field theory for polyelectrolytes and its applications
Author
Kumar, Rajeev
Number of pages
172
Publication year
2008
Degree date
2008
School code
0118
Source
DAI-B 69/12, Dissertation Abstracts International
Place of publication
Ann Arbor
Country of publication
United States
ISBN
9780549915713
Advisor
Muthukumar, Murugappan
Committee member
Dinsmore, Anthony D.; Grason, Gregory M.; Machta, Jonathan
University/institution
University of Massachusetts Amherst
Department
Polymer Science & Engineering
University location
United States -- Massachusetts
Degree
Ph.D.
Source type
Dissertations & Theses
Language
English
Document type
Dissertation/Thesis
Dissertation/thesis number
3336985
ProQuest document ID
304567593
Copyright
Database copyright ProQuest LLC; ProQuest does not claim copyright in the individual underlying works.
Document URL
http://search.proquest.com/docview/304567593
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