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Mesoscopic Simulations of Polyelectrolyte Electrophoresis in Nanochannels
[chapter]
2011
High Performance Computing in Science and Engineering '10
Preserved Fulltext
The effects of electroosmotic flow and slippage combined with polyelectrolyte electrophoresis are investigated in detail, taking full account of hydrodynamic and electrostatic interactions. ...
We present the results of mesoscopic dissipative particle dynamics (DPD) simulations of coupled electrohydrodynamic phenomena on the micro-and nanoscale. ...
Furthermore we thank the HLRS in Stuttgart for computing time and the Volkswagen Stiftung for funding. ...
doi:10.1007/978-3-642-15748-6_5
fatcat:pxok62ixqbgpxbkwqj26hhfthi
Mesoscopic simulations of polyelectrolyte electrophoresis in nanochannels
[article]
2010
arXiv
pre-print
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The effects of electroosmotic flow and slippage combined with polyelectrolyte electrophoresis are investigated in detail, taking full account of hydrodynamic and electrostatic interactions. ...
We present the results of mesoscopic dissipative particle dynamics (DPD) simulations of coupled electrohydrodynamic phenomena on the micro- and nanoscale. ...
Furthermore we thank the HLRS in Stuttgart for computing time and the Volkswagen Stiftung for funding. ...
arXiv:1007.3585v1
fatcat:bnq72tykr5asvopzz4yiy4xsgm
Mesoscopic Simulation Methods for Studying Flow and Transport in Electric Fields in Micro- and Nanochannels
[chapter]
2012
Advances in Microfluidics
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The essence of mesoscopic simulation methods is to combine a significant reduction of degrees of freedom with an artificial dynamical model that reproduces the main dynamical features on long time scales ...
Flows in micro-and nanochannels are characterized by low Reynolds numbers. ...
Then we will present a selection of simulation methods for studying electrokinetic phenomena.
107 Mesoscopic Simulation Methods for Studying Flow and Transport in Electric Fields in Micro-and Nanochannels ...
doi:10.5772/35773
fatcat:xrddrb5k6zbnfblo4w3jaf3y6e
Simulation of DNA electrophoresis in systems of large number of solvent particles by coarse-grained hybrid molecular dynamics approach
2009
Journal of Computational Chemistry
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CGH-MD was further applied to the simulation of DNA electrophoresis in a polymer solution and in a well-studied nanofluidic device. ...
Simulation of DNA electrophoresis facilitates the design of DNA separation devices. ...
Yang for their useful discussion of the numerical method. ...
doi:10.1002/jcc.21081
pmid:18773412
fatcat:gdtnj7jlindxfjdgloaeha62yi
Electrokinetics: insights from simulation on the microscopic scale
2013
Molecular Physics
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We highlight the insights that molecular studies have brought on the nature of interfacial charges and their implications for kinetic phenomena in confined fluids and also discuss advances in a number ...
We discuss the complementary simulation methodologies that have been developed either to focus on the molecular aspects of electrokinetics or on their effective properties on larger scales, as well as ...
We first discuss mesoscopic simulations. ...
doi:10.1080/00268976.2013.791731
fatcat:hovkxppztrc7xkzj3mlcbyk44u
A scalable multiphysics algorithm for massively parallel direct numerical simulations of electrophoretic motion
2018
Journal of Computational Science
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2017 pre-print arXiv:1708.08741v1 fatcat:pssci3igmzhjzpexsgv5s7n5puOther Versions
In this article we introduce a novel coupled algorithm for massively parallel direct numerical simulations of electrophoresis in microfluidic flows. ...
This multiphysics algorithm employs an Eulerian description of fluid and ions, combined with a Lagrangian representation of moving charged particles. ...
The mesoscale dissipative particle dynamics method is applied in [39] to simulate electrophoresis of a polyelectrolyte in a nanochannel. ...
doi:10.1016/j.jocs.2018.05.011
fatcat:5bc3jsue3fdydmvntil2aysxha
Modulating Electro-osmotic Flow with Polymer Coatings
2012
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The last section presents results which show how hydrodynamic interactions in charged polymer systems can be modeled mesoscopically without the use of explicit charges by forcing a slip between monomers ...
This model is validated by simulating some surprising predictions made in the literature such as an object with no n [...] ...
The findings, opinions, and recommendations expressed in this Letter are those of the authors and not necessarily those of Northwestern University or the NIH. O. A. ...
doi:10.20381/ruor-5166
fatcat:qgcn7orqsvfkpfmdsby33lzhq4
Mesoscopic simulations at the physics-chemistry-biology interface
[article]
2019
arXiv
pre-print
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In particular, we describe current large-scale LBPD simulations of biopolymer translocation across cellular membranes, molecular transport in ion channels and amyloid aggregation in cells. ...
We also provide prospects for future LBPD explorations in the direction of cellular organization, the direct simulation of full biological organelles, all the way to up to physiological scales of potential ...
electrostatics, polyelectrolytes in bicomponent fluids. ...
arXiv:1905.02261v1
fatcat:k4zbtaqgmnfkvn2ioxnybg26ba
Cell Micro-patterning
[chapter]
2016
Encyclopedia of Nanotechnology
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control radio frequency (RF) signal paths in microwave and millimeter-wave circuits through mechanical motion and contact. ...
While micromachined beams or plates are also utilized in capacitive switches, these switches rely on metal-to-dielectric contacts to implement their on and off states. ...
Study of Nanomaterials: From Large-Scale Atomistic Simulations to Mesoscopic Modeling, Fig. 4 Snapshots from mesoscopic simulations of systems consisting of (10,10) single-walled carbon nanotubes: ( ...
doi:10.1007/978-94-017-9780-1_100152
fatcat:msyahfwivvcxhol3nltwdi546e
Chemical Vapor Deposition (CVD)
[chapter]
2016
Encyclopedia of Nanotechnology
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control radio frequency (RF) signal paths in microwave and millimeter-wave circuits through mechanical motion and contact. ...
While micromachined beams or plates are also utilized in capacitive switches, these switches rely on metal-to-dielectric contacts to implement their on and off states. ...
Study of Nanomaterials: From Large-Scale Atomistic Simulations to Mesoscopic Modeling, Fig. 4 Snapshots from mesoscopic simulations of systems consisting of (10,10) single-walled carbon nanotubes: ( ...
doi:10.1007/978-94-017-9780-1_345
fatcat:hqqkocm2sne5jp32r7akdjceyi
Dielectric variations in simulations of charged soft matter
[article]
2016
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Particularly for the effective charge of colloids, and for the conductivity of polyelectrolytes in aqueous solution, major behavioral changes are shown. ...
In this thesis, an algorithm to calculate electrostatic interactions in molecular dynamics simulations is extended to include spatial and temporal variations in the dielectric permittivity of the system ...
Simulations of polyelectrolyte electrophoresis have, for the most part, focused on the electrophoresis of a single chain in bulk solution (free solution electrophoresis). ...
doi:10.18419/opus-5209
fatcat:uilchowksrdo7addvzlhcqiu74
INTERNATIONAL UNION OF PURE AND APPLIED CHEMISTRY
[chapter]
1979
Photochemistry–7
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simulations KALINICHEV, Andrey 123 The structure of electrolyte solutions and dynamics of ions near single wall carbon nanotubes KOLKER, Arkady 124 Complexes of sulfuric acid with N,N-dimethylformamide ...
crossing of binuclear metal complexes in solution, R. ...
Acknowledgements The support of the Polish Ministry of Science and Higher Education grant No NN 204 139038 is gratefully acknowledged. ...
doi:10.1016/b978-0-08-022358-2.50001-6
fatcat:vrgu5jlpxneyji4tagogg2pkbq
International union of pure and applied chemistry
1990
Polymer Engineering and Science
Preserved Fulltext
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simulations KALINICHEV, Andrey 123 The structure of electrolyte solutions and dynamics of ions near single wall carbon nanotubes KOLKER, Arkady 124 Complexes of sulfuric acid with N,N-dimethylformamide ...
crossing of binuclear metal complexes in solution, R. ...
Acknowledgements The support of the Polish Ministry of Science and Higher Education grant No NN 204 139038 is gratefully acknowledged. ...
doi:10.1002/pen.760301814
fatcat:uls46yymvnf7dibdxdnmfpb3ze
INTERNATIONAL UNION OF PURE AND APPLIED CHEMISTRY
[chapter]
1979
Physical Chemistry
Preserved Fulltext
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The file type is application/pdf.
simulations KALINICHEV, Andrey 123 The structure of electrolyte solutions and dynamics of ions near single wall carbon nanotubes KOLKER, Arkady 124 Complexes of sulfuric acid with N,N-dimethylformamide ...
crossing of binuclear metal complexes in solution, R. ...
Acknowledgements The support of the Polish Ministry of Science and Higher Education grant No NN 204 139038 is gratefully acknowledged. ...
doi:10.1016/b978-0-08-022036-9.50001-9
fatcat:jbk7juwzovbwhcfwljguvgtnca
International Union of Pure and Applied Chemistry
2014
Pure and Applied Chemistry
Preserved Fulltext
A copy of this work was available on the public web and has been preserved in the Wayback Machine. The capture dates from 2017; you can also visit the original URL.
The file type is application/pdf.
simulations KALINICHEV, Andrey 123 The structure of electrolyte solutions and dynamics of ions near single wall carbon nanotubes KOLKER, Arkady 124 Complexes of sulfuric acid with N,N-dimethylformamide ...
crossing of binuclear metal complexes in solution, R. ...
Acknowledgements The support of the Polish Ministry of Science and Higher Education grant No NN 204 139038 is gratefully acknowledged. ...
doi:10.1515/pac-2014-5044
fatcat:3nyfvqqmrfge7glhrgg55ktujy
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