Influence of Charged Polymer Coatings on Electro-Osmotic Flow: Molecular Dynamics Simulations

2011 ◽  
Vol 44 (23) ◽  
pp. 9455-9463 ◽  
Author(s):  
Owen A. Hickey ◽  
Christian Holm ◽  
James L. Harden ◽  
Gary W. Slater
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Polymer Coatings ◽  
Osmotic Flow ◽  
Charged Polymer ◽  
Dynamics Simulations ◽  
Electro Osmotic Flow

Control of electro-osmotic flow by mixed polymer brushes: Molecular dynamics simulations

2017 ◽  
Vol 57 (12) ◽  
pp. 1293-1300
Author(s):  
Guang Yan ◽  
Qianqian Cao ◽  
Jingtao Xin ◽  
Fei Luo ◽  
Lianqing Zhu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Polymer Brushes ◽  
Osmotic Flow ◽  
Dynamics Simulations ◽  
Electro Osmotic Flow

Capture of Charged Polymer in Salt Solution

2013 ◽  
Vol 562-565 ◽  
pp. 1296-1301
Author(s):  
Xiao Long Wei ◽  
Jing Jie Sha ◽  
Yun Fei Chen
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Salt Solution ◽  
Capture Rate ◽  
Dna Molecules ◽  
High Concentration ◽  
Electrical Field ◽  
Charged Polymer ◽  
Dynamics Simulations ◽  
Increasing Temperature

To understand the capture of charged polymer in salt solution, we investigated the effect of the temperature, concentration of DNA molecules and electrical field to the polynucleotide capture rate by using a single graphene nanopore. From the result of the molecular dynamics simulations, it suggested that the capture rate becomes higher with increasing temperature and that it increases exponentially with the electrical field, and that low and high concentration of the polymer do not exhibit optimal capture rate. By analyzing the simulations results we predict that the capture rate is related to the aperture and the structure of the pore.

scholarly journals Adsorption on Ligand-Tethered Nanoparticles

2021 ◽  
Vol 22 (16) ◽  
pp. 8810
Author(s):  
Małgorzata Borówko ◽  
Tomasz Staszewski
Keyword(s):  
Molecular Dynamics ◽  
Adsorption Isotherm ◽  
Molecular Dynamics Simulations ◽  
Polymer Coatings ◽  
Coarse Grained ◽  
Interaction Parameters ◽  
Structural Transitions ◽  
Excess Adsorption ◽  
The Core ◽  
Dynamics Simulations

We use coarse-grained molecular dynamics simulations to study adsorption on ligand-tethered particles. Nanoparticles with attached flexible and stiff ligands are considered. We discuss how the excess adsorption isotherm, the thickness of the polymer corona, and its morphology depend on the number of ligands, their length, the size of the core, and the interaction parameters. We investigate the adsorption-induced structural transitions of polymer coatings. The behavior of systems involving curved and flat “brushes” is compared.

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