Polymer translocation through nanopore under external electric field: dissipative particle dynamics study

AbstractOne of the unresolved issues in physiology is how exactly myosin moves in a filament as the smallest responsible organ for contracting of a natural muscle. In this research, inspired by nature, a model is presented consisting of DPD (dissipative particle dynamics) particles driven by electro-osmotic flow (EOF) in micro channel that a thin movable impermeable polymer membrane has been attached across channel width, thus momentum of fluid can directly transfer to myosin stem. At the first, by validation of electro-osmotic flow in micro channel in different conditions with accuracy of less than 10 percentage error compared to analytical results, the DPD results have been developed to displacement of an impermeable polymer membrane in EOF. It has been shown that by the presence of electric field of 250 V/m and Zeta potential − 25 mV and the dimensionless ratio of the channel width to the thickness of the electric double layer or kH = 8, about 15% displacement in 8 s time will be obtained compared to channel width. The influential parameters on the displacement of the polymer membrane from DPD particles in EOF such as changes in electric field, ion concentration, zeta potential effect, polymer material and the amount of membrane elasticity have been investigated which in each cases, the radius of gyration and auto correlation velocity of different polymer membrane cases have been compared together. This simulation method in addition of probably helping understand natural myosin displacement mechanism, can be extended to design the contraction of an artificial muscle tissue close to nature.

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Electroporation Using Dissipative Particle Dynamics with a Novel Protocol for Applying Electric Field

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.8b00911 ◽

2018 ◽

Vol 15 (1) ◽

pp. 603-612 ◽

Cited By ~ 1

Author(s):

Rakesh Vaiwala ◽

Sameer Jadhav ◽

Rochish Thaokar

Keyword(s):

Electric Field ◽

Dissipative Particle Dynamics ◽

Particle Dynamics

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A Dissipative Particle Dynamics Study of Liquid Crystals Under Electric Field

ASME 2013 4th International Conference on Micro/Nanoscale Heat and Mass Transfer ◽

10.1115/mnhmt2013-22125 ◽

2013 ◽

Author(s):

Man Prakash Gupta ◽

Satish Kumar

Keyword(s):

Liquid Crystals ◽

Electric Field ◽

Response Time ◽

Dynamic Behavior ◽

Order Parameter ◽

Dissipative Particle Dynamics ◽

Critical Value ◽

Particle Dynamics ◽

Field Frequency ◽

Ac Field

We study the equilibrium and dynamic behavior of liquid crystals (LCs) under dc and ac electric field using a mesoscopic simulation technique, Dissipative Particle Dynamics (DPD). We quantify the reorientation of LC molecules and the change in their anisotropic character under external perturbation by an order parameter. We find that the electric field magnitude has to be above a critical value to initiate the reorientation of the director of the LC system along the applied electric field, which is consistent with the experimental observations. The response time of the reorientation process decreases as the magnitude of the electric increases for the dc fields. The effect of ac field frequency on the order parameter is correlated with the field amplitude. The cyclic variation in the order parameter follows the ac field when the oscillation period is greater than the response time of the system and the amplitude is greater than the critical value. Results suggest that the DPD technique can provide important insights in to the dynamic behavior of LC system under both dc and ac electric fields. This technique can further be applied to examine the properties of colloidal LCs which can be very useful for many practical applications.

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Two-dimensional diffusion model for the biopolymers dynamics at nanometer scale

Open Physics ◽

10.2478/s11534-009-0087-8 ◽

2009 ◽

Vol 7 (3) ◽

Cited By ~ 1

Author(s):

Viorel Paun

Keyword(s):

Electric Field ◽

External Electric Field ◽

Electric Field Intensity ◽

Nanometer Scale ◽

Linear Polymers ◽

Two Dimensional ◽

Physical Behavior ◽

Dimensional Diffusion ◽

Translocation Time ◽

Polymer Translocation

AbstractIn this paper the driven transport of linear polymers through a nanopore is presented. Biopolymer physical behavior in an external electric field is modeled and its motion is simulated using the Langevin impulse integrator method. Within fairly large limits, the polymer translocation time is inversely proportional with the electric field intensity and directly proportional with the polymer chain length.

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Modeling and Simulation of Microscale Bipolar Particle Dynamics in an Applied Electric Field

Volume 7A: Fluids Engineering Systems and Technologies ◽

10.1115/imece2013-64806 ◽

2013 ◽

Author(s):

Mohammad Robiul Hossan ◽

Robert Dillon ◽

Prashanta Dutta

Keyword(s):

Electric Field ◽

External Electric Field ◽

Applied Electric Field ◽

Numerical Study ◽

Particle Dynamics ◽

Opposite Polarity ◽

Surface Charges ◽

Ellipsoidal Particles ◽

Polar Moment ◽

String Formation

The colloidal dynamics of bipolar microparticles is of growing theoretical interest in understanding and advancement of electrorheology and ferroelectric research. In this paper we present an interface resolved numerical study to analyze dynamics of ellipsoidal bipolar microparticles for various initial configurations. The bipolarity is imposed by providing surface charges of opposite polarity at the two ends of ellipsoidal particles. The numerical simulations show that in the absence of an external electric field, ellipsoidal particles form a head-to-tail chain or stay apart from each other depending on the inter-particle distance, as well as the magnitude and direction of the inherent polar moment. On the other hand, in presence of an external electric field, the assembly or clustering mechanism primarily depends on the magnitude and direction of the applied electric field. Simulation results also show that the electrorotation process is a function of initial configuration. This comprehensive numerical study will help to better understand the mechanisms of clustering, string formation, and the disaggregation of bipolar microparticles.

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Dissipative Particle Dynamics Simulation of Nano Taylor Cone

ASME 2010 8th International Conference on Nanochannels, Microchannels, and Minichannels: Parts A and B ◽

10.1115/fedsm-icnmm2010-31089 ◽

2010 ◽

Author(s):

Meysam Joulaian ◽

Sorush Khajepor ◽

Ahmadreza Pishevar ◽

Yaser Afshar

Keyword(s):

Electric Field ◽

Dissipative Particle Dynamics ◽

Particle Dynamics ◽

Dynamics Simulation ◽

Pendant Drop ◽

Fluid Interface ◽

Time Step ◽

Drop Shape ◽

Analytical Estimation ◽

Dissipative Particle Dynamics Simulation

Dissipative particle dynamics (DPD) is an emerging method for simulating problems at mesoscopic time and length scales. In this paper, we present a new algorithm to describe the hydrodynamics of a perfect conductive fluid in the presence of an electric field. The model is based on solving the electrostatic equations in each DPD time step for determining the charge distribution at the fluid interface and, therefore, corresponding electrical forces exerted by the electric field to the particles near the interface. The method is applied to a perfect conductive pendant drop which is immersed in a perfect dielectric and hydrodynamically inactive ambient. We have shown that when the applied voltage is sufficiently high, the drop shape is changed to a cone with an apex angle which is near to the Taylor analytical estimation of 98.6°. Our results reveal that the presented algorithm gives new capabilities to the conventional DPD method for simulating nanoscale problems in the presence of an electric field.

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