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 finitesize 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 finitesize 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 allornone transition or something in between, a transitions with pearlnecklace structures (partial globules connected by subchains). We focus on whether a coilglobule transition is discontinuous or continuous. (Less)
Please use this url to cite or link to this publication:
http://lup.lub.lu.se/record/467077
 author
 Hayashi, Yoshikatsu
 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
 20040528 10:15
 ISBN
 9174220489
 language
 English
 LU publication?
 yes
 id
 bac6bd56f52a488c8656f2d6af92988f (old id 467077)
 date added to LUP
 20071013 13:57:48
 date last changed
 20160919 08:45:09
@misc{bac6bd56f52a488c8656f2d6af92988f, 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 finitesize 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 allornone transition or something in between, a transitions with pearlnecklace structures (partial globules connected by subchains). We focus on whether a coilglobule transition is discontinuous or continuous.}, author = {Hayashi, Yoshikatsu}, isbn = {9174220489}, keyword = {Physical chemistry,Monte Carlo simulation,analytical theory,Fysikalisk kemi}, language = {eng}, pages = {102}, publisher = {ARRAY(0xae305b0)}, title = {Oppositely Charged Polyelectrolytes in Solution}, year = {2004}, }