Oppositely Charged Polyelectrolytes in Solution
(2004)- Abstract
- This thesis is about the formation of complexes in solutions of oppositely charged polyions. We consider mainly three topics: 1)Monte Carlo simulations of oppositely charged polyelectrolytes with a focus on cluster compositions. To explain the distribution of cluster compositions, we found a minimum set of rules describing the interplay between the energy and entropy.
2)An analytical theory. The simulation results obtained in a canonical ensemble suffer from finite-size effects, since there are only a few polyions in the simulation box. We could reproduce the simulation results in the canonical ensemble and extended the calculations to a grand canonical ensemble. The latter ensemble corresponds more closely to... (More) - This thesis is about the formation of complexes in solutions of oppositely charged polyions. We consider mainly three topics: 1)Monte Carlo simulations of oppositely charged polyelectrolytes with a focus on cluster compositions. To explain the distribution of cluster compositions, we found a minimum set of rules describing the interplay between the energy and entropy.
2)An analytical theory. The simulation results obtained in a canonical ensemble suffer from finite-size effects, since there are only a few polyions in the simulation box. We could reproduce the simulation results in the canonical ensemble and extended the calculations to a grand canonical ensemble. The latter ensemble corresponds more closely to experimental systems. 3)An analytical theory for a single polyelectrolyte with multivalent counterions. DNA can be compacted by multivalent counterions. As the concentration of the condensing agent increases, DNA compaction shows either an all-or-none transition or something in between, a transitions with pearl-necklace structures (partial globules connected by subchains). We focus on whether a coil-globule transition is discontinuous or continuous. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/467077
- author
- Hayashi, Yoshikatsu LU
- supervisor
- opponent
-
- Laaksonen, Aatto
- organization
- publishing date
- 2004
- type
- Thesis
- publication status
- published
- subject
- keywords
- Physical chemistry, Monte Carlo simulation, analytical theory, Fysikalisk kemi
- pages
- 102 pages
- publisher
- Yoshikatsu Hayashi
- defense location
- Lecture Hall C, Chemical center
- defense date
- 2004-05-28 10:15:00
- ISBN
- 91-7422-048-9
- language
- English
- LU publication?
- yes
- additional info
- Article: A Monte Carlo Study of Solutions ofOppositely Charged PolyelectrolytesJournal of Chemical Physics 116}, 6836-6845 (2002) Article: Complex Formation in Solutions of Oppositely Charged Polyelectrolytes at Different Polyion Compositions and Salt ContentJournal of Physical Chemistry B 107, 8198-8207 (2003) Article: Oppositely Charged Polyelectrolytes.Complex Formation and Effects of Chain AsymmetryAll-or-None (or Something in Between) Transition of DNA
- id
- bac6bd56-f52a-488c-8656-f2d6af92988f (old id 467077)
- date added to LUP
- 2016-04-04 11:15:47
- date last changed
- 2018-11-21 21:03:42
@phdthesis{bac6bd56-f52a-488c-8656-f2d6af92988f,
abstract = {{This thesis is about the formation of complexes in solutions of oppositely charged polyions. We consider mainly three topics: 1)Monte Carlo simulations of oppositely charged polyelectrolytes with a focus on cluster compositions. To explain the distribution of cluster compositions, we found a minimum set of rules describing the interplay between the energy and entropy.<br/><br>
<br/><br>
2)An analytical theory. The simulation results obtained in a canonical ensemble suffer from finite-size effects, since there are only a few polyions in the simulation box. We could reproduce the simulation results in the canonical ensemble and extended the calculations to a grand canonical ensemble. The latter ensemble corresponds more closely to experimental systems. 3)An analytical theory for a single polyelectrolyte with multivalent counterions. DNA can be compacted by multivalent counterions. As the concentration of the condensing agent increases, DNA compaction shows either an all-or-none transition or something in between, a transitions with pearl-necklace structures (partial globules connected by subchains). We focus on whether a coil-globule transition is discontinuous or continuous.}},
author = {{Hayashi, Yoshikatsu}},
isbn = {{91-7422-048-9}},
keywords = {{Physical chemistry; Monte Carlo simulation; analytical theory; Fysikalisk kemi}},
language = {{eng}},
publisher = {{Yoshikatsu Hayashi}},
school = {{Lund University}},
title = {{Oppositely Charged Polyelectrolytes in Solution}},
year = {{2004}},
}