Modeling of ionic relaxation around a biomembrane disk

Oroszi, László; Hasemann, Olaf; Wolff, Elmar K.; Dér, András

doi:10.1016/s1567-5394(03)00052-5

Cited by 8 publications

(3 citation statements)

References 26 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The motion of molecules are described by the three-dimensional random walk algorithm [15,21,22]. Yet despite its simplicity, random walk simulations can yield accurate results for complex processes and it has been used in a wide range of applications including electrodeposition [22][23][24][25], ionic relaxation around an electrode [26] or biomembrane [27], diffusional interacting at microelectrodes [28][29][30], as well as neurotransmitter dynamics [31,32]. In the random walk simulation, the molecule is allowed to take a step Dl either forward or backward randomly in each x, y and z directions after a fixed interval Dt.…”

Section: Theoretical Model and Simulation Methodsmentioning

confidence: 99%

The time delay in electrochemical measurements of a finite-volume system

Liang

Guo

Dong

2009

Journal of Electroanalytical Chemistry

View full text Add to dashboard Cite

Section: Theoretical Model and Simulation Methodsmentioning

confidence: 99%

The time delay in electrochemical measurements of a finite-volume system

Liang

Guo

Dong

2009

Journal of Electroanalytical Chemistry

View full text Add to dashboard Cite

“…Then, the charge of the electroactive species is suddenly changed ͑it becomes Ϫ1 for the solute placed near the cathode and ϩ1 for the anode͒, and the subsequent relaxation of the surrounding ionic atmosphere is observed performing nonequilibrium Brownian dynamics simulations, as already employed in the litterature. 33,34 The jump of the charge mimics the electron transfer which occurs during an electrochemical reaction at the electrode, and takes place within the femtosecond time scale, i.e., well below any time scale considered in this study. Parameters describing the system are chosen to be closest to the conditions of standard electrochemical experiments: the supporting electrolyte is a 1:1 electrolyte at concentrations in the range 0.1 to 1.0 mol L Ϫ1 , surface charges are moderate ͑Ӎ0.05 C m Ϫ2 ͒ and the electroactive species is about 100 times more dilute than the smallest electrolyte concentration (10 Ϫ3 mol L Ϫ1 ).…”

Section: Introductionmentioning

confidence: 94%

Relaxation of the electrical double layer after an electron transfer approached by Brownian dynamics simulation

Grün¹,

Jardat²,

Turq³

et al. 2004

The Journal of Chemical Physics

View full text Add to dashboard Cite

In this paper, the dynamical properties of the electrochemical double layer following an electron transfer are investigated by using Brownian dynamics simulations. This work is motivated by recent developments in ultrafast cyclic voltammetry which allow nanosecond time scales to be reached. A simple model of an electrochemical cell is developed by considering a 1:1 supporting electrolyte between two parallel walls carrying opposite surface charges, representing the electrodes; the solution also contains two neutral solutes representing the electroactive species. Equilibrium Brownian dynamics simulations of this system are performed. To mimic electron transfer processes at the electrode, the charge of the electroactive species are suddenly changed, and the subsequent relaxation of the surrounding ionic atmosphere are followed, using nonequilibrium Brownian dynamics. The electrostatic potential created in the center of the electroactive species by other ions is found to have an exponential decay which allows the evaluation of a characteristic relaxation time. The influence of the surface charge and of the electrolyte concentration on this time is discussed, for several conditions that mirror the ones of classical electrochemical experiments. The computed relaxation time of the double layer in aqueous solutions is found in the range 0.1 to 0.4 ns for electrolyte concentrations between 0.1 and 1 mol L(-1) and surface charges between 0.032 and 0.128 C m(-2).

show abstract

“…This specific method has been used to explore dual microdisk chronoamperometry [17], finite volume spherical electrodes [18], microdisk electrode arrays in two dimensions [19,20], neurodynamics [21,22], deposition [23][24][25], and ionic relaxation at a biomembrane [26] and at an electrode [27]. Amatore et al also probed moving boundary diffusion with aggregation [28] and protein cluster formation [29] in two dimensions using a Gaussian method [30].…”

Section: Introductionmentioning

confidence: 99%