Difference between revisions of "Hauptseminar Soft Matter SS 2019/Transport of poly electrolytes and colloids in electric fields"
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Many polymers, including biomelcules like e. g. DNA, contain numerous electrolyte groups. In aqueous solution, these groups can dissociate, making the polymer a charged polyelectrolyte. Under the influence of an electric field this can lead to motion of the polyelectrolyte relative to the fluid – a transport mechanism know as ''electrophoresis''.  Many polymers, including biomelcules like e. g. DNA, contain numerous electrolyte groups. In aqueous solution, these groups can dissociate, making the polymer a charged polyelectrolyte. Under the influence of an electric field this can lead to motion of the polyelectrolyte relative to the fluid – a transport mechanism know as ''electrophoresis''.  
−  This talk will provide an overview of how electrophoretic systems can be modeled using computer simulations. As a theoretical basis the description of electroosmotic flow (EOF) at charged walls will be presented as well as its analytical solution in the thinDebyeLayer (Smoluchowski) limit. Then the ''Standard Electrokinetic Model'' by O'Brian and White is introduced and it is demonstrated how this perturbation theory approach can be used to solve the case of a spherical particle, also showing how mobility changes with the size of the particles. However, the full system of electrokinetic equations can also be soved without the thinDebyelayer approximation, using computer simulations. This can be done using, e. g., the ''finite element method'' (FEM) or ''molecular dynamics'' (MD) simulations, where a combination of explicit electrostatics, hydrodynamics via the latticeBoltzmann (LB) method, and a representation of the particle using multiple fluidcoupling points ("raspberry approach") is  +  This talk will provide an overview of how electrophoretic systems can be modeled using computer simulations. As a theoretical basis the description of electroosmotic flow (EOF) at charged walls will be presented as well as its analytical solution in the thinDebyeLayer (Smoluchowski) limit. Then the ''Standard Electrokinetic Model'' by O'Brian and White is introduced and it is demonstrated how this perturbation theory approach can be used to solve the case of a spherical particle, also showing how mobility changes with the size of the particles. However, the full system of electrokinetic equations can also be soved without the thinDebyelayer approximation, using computer simulations. This can be done using, e. g., the ''finite element method'' (FEM) or ''molecular dynamics'' (MD) simulations, where a combination of explicit electrostatics, hydrodynamics via the latticeBoltzmann (LB) method, and a representation of the particle using multiple fluidcoupling points ("raspberry approach") is applied. With slight modifications, this MD approach can also be used to model charged polyelectrolytes, demonstrating for instance how their transport properties change with polymer chain length. 
==References==  ==References== 
Revision as of 12:27, 8 February 2019
 "{{{number}}}" is not a number.
 Date
 20190531
 Time
 14:00
 Topic
 Transport of (poly)electrolytes and colloids in electric fields
 Speaker
 Tutor
 Patrick Kreissl
Contents
Many polymers, including biomelcules like e. g. DNA, contain numerous electrolyte groups. In aqueous solution, these groups can dissociate, making the polymer a charged polyelectrolyte. Under the influence of an electric field this can lead to motion of the polyelectrolyte relative to the fluid – a transport mechanism know as electrophoresis.
This talk will provide an overview of how electrophoretic systems can be modeled using computer simulations. As a theoretical basis the description of electroosmotic flow (EOF) at charged walls will be presented as well as its analytical solution in the thinDebyeLayer (Smoluchowski) limit. Then the Standard Electrokinetic Model by O'Brian and White is introduced and it is demonstrated how this perturbation theory approach can be used to solve the case of a spherical particle, also showing how mobility changes with the size of the particles. However, the full system of electrokinetic equations can also be soved without the thinDebyelayer approximation, using computer simulations. This can be done using, e. g., the finite element method (FEM) or molecular dynamics (MD) simulations, where a combination of explicit electrostatics, hydrodynamics via the latticeBoltzmann (LB) method, and a representation of the particle using multiple fluidcoupling points ("raspberry approach") is applied. With slight modifications, this MD approach can also be used to model charged polyelectrolytes, demonstrating for instance how their transport properties change with polymer chain length.
References

R. W. O'Brien and L. R. White.
"Electrophoretic Mobility of a spherical colloidal Particle".
Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics 74(2)(1607), 1978.
[PDF] (4 MB) [DOI] 
Vladimir Lobaskin and Burkhard Dünweg and Martin Medebach and Thomas Palberg and Christian Holm.
"Electrophoresis of Colloidal Dispersions in the LowSalt Regime".
Physical Review Letters 98(176105), 2007.
[PDF] (169 KB) [DOI] 
J. L. Viovy.
"Electrophoresis of DNA and other polyelectrolytes: Physical mechanisms".
Reviews of Modern Physics 72(3)(813–872), 2000.
[PDF] (2 MB) 
Kai Grass and Christian Holm.
"Mesoscale modelling of polyelectrolyte electrophoresis".
Faraday Discussions 144(57–70), 2010.
[PDF] (984 KB) [DOI]