Effect of an external electric field on the diffusion-influenced reversible reaction of a neutral particle and a charged particle in three dimensions

2008 ◽  
Vol 129 (23) ◽  
pp. 234501 ◽  
Author(s):  
Shang Yik Reigh ◽  
Kook Joe Shin ◽  
Masanori Tachiya
Keyword(s):  
Charged Particle ◽  
Electric Field ◽  
External Electric Field ◽  
Neutral Particle ◽  
Three Dimensions ◽  
Reversible Reaction

scholarly journals Trapping and transport of charges in DNA by mobile discrete breathers

2018 ◽  
Vol 13 (1) ◽  
pp. 1-12 ◽  
Author(s):  
A.P. Chetverikov ◽  
K.S. Sergeev ◽  
V.D. Lakhno
Keyword(s):  
Numerical Simulation ◽  
Wave Function ◽  
Charged Particle ◽  
Electric Field ◽  
External Electric Field ◽  
Base Pair ◽  
Quasi Particle ◽  
Dna Molecule ◽  
Discrete Breathers

Numerical simulation of trapping and transport of a charged particle (electron or hole) by mobile discrete breathes (mobile DB, MDB) in DNA molecule has been provided. Mobile DBs have been excited by disturbance of displacements or velocities of adjacent nucleotide pairs dislocated near one of fixed ends of the molecule. It is shown that effective forming of a stable quasi-particle “MDB + electron” occurs when a few of nucleotide pairs at the end of DNA are excited. Breathes may be excited by disturbances of displacements and velocities directed both to axis and from axis of the molecule. A wave function of an electron must be located initially in a region of disturbance of the molecule. It has been found that a metastable quasi-particle may be transported at a distance up to 200 of a rise per base pair. The mechanism of transport of a charged particle presented is not in need of an external electric field and may be considered as an alternative one to the polaronic mechanism.

scholarly journals Effects of channel size, wall wettability, and electric field strength on ion removal from water in nanochannels

2022 ◽  
Vol 12 (1) ◽  
Author(s):  
Filippos Sofos ◽  
Theodoros E. Karakasidis ◽  
Ioannis E. Sarris
Keyword(s):  
Field Strength ◽  
Electric Field ◽  
Electric Field Strength ◽  
External Electric Field ◽  
Three Dimensions ◽  
Ion Removal ◽  
Ion Drift ◽  
Field Lines ◽  
Dynamics Simulations ◽  
Wall Wettability

AbstractMolecular dynamics simulations are employed to estimate the effect of nanopore size, wall wettability, and the external field strength on successful ion removal from water solutions. It is demonstrated that the presence of ions, along with the additive effect of an external electric field, constitute a multivariate environment that affect fluidic interactions and facilitate, or block, ion drift to the walls. The potential energy is calculated across every channel case investigated, indicating possible ion localization, while electric field lines are presented, to reveal ion routing throughout the channel. The electric field strength is the dominant ion separation factor, while wall wettability strength, which characterizes if the walls are hydrophobic or hydrophilic has not been found to affect ion movement significantly at the scale studied here. Moreover, the diffusion coefficient values along the three dimensions are reported. Diffusion coefficients have shown a decreasing tendency as the external electric field increases, and do not seem to be affected by the degree of wall wettability at the scale investigated here.

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