Abstract
In this paper, a mathematical physics model is set up to study dielectric constant profile of aqueous solvent in ionic solution, to revise Brownian dynamics simulation in ionic solution by considering time-variant dielectric constant profile with change in ion positions, and to study the effect of high-intensity electric pulses on the profile. The validation of the model is confirmed with verification calculations. By means of the proposed model, dielectric constant profiles in calcium chloride and sodium chloride solutions and their response to pulses are simulated. Based on numerical results, dielectric constants of aqueous solvent spatially vary instead of being the same value in ionic solutions. And the profiles are variant with time due to ion motion in solutions. From the profiles, overall dielectric constant in calcium chloride solution is lower than that in sodium chloride solution. And overall dielectric constant decreases with increment of solution concentration. In addition, the results show that influence on the profiles depends on solution concentration and field intensity of the pulse. The profile in solutions with low concentration is more vulnerable to the pulse than that with high concentration. And overall dielectric constant decreases dramatically as field intensity increases. Those understandings provide basis for application of pulses in biomedical engineering at the molecular level. Meanwhile, pulse radiation provides a potential way to constrain water molecules at room temperature reflected by significantly reducing dielectric constant, and to lower absorption loss of electromagnetic field in millimeter and far infrared band.
Highlights
In recent decades, considerable researches have been reported on the interactions between highintensity electric pulses (HIEPs) and organisms.[1,2,3,4,5] Despite the substantial researches, the interaction mechanisms are not well understood.Water is a fundamental substance for life, whose weight is far more than half of the weight of any living body
It is of great significance to make clear the effect of HIEPs on the properties in the ionic solution for understanding the interaction mechanism and guiding the applications
A time te at which the ionic solution is under dynamic equilibrium is chosen as an initial time, and the configuration of ions at te is chosen as the initial configuration of the ions in the study of the dielectric constant profile of aqueous solvent
Summary
Considerable researches have been reported on the interactions between highintensity electric pulses (HIEPs) and organisms.[1,2,3,4,5] Despite the substantial researches, the interaction mechanisms are not well understood. One of the assumptions in Booth’s work is that the electric field is obtainable from the Laplace equation.[9,15] In 1997, Poisson-Boltzmann (PB) theory was applied in the calculation of the static dielectric constants around a DNA in ionic solution.[16]. Dielectric constant profiles of aqueous solvent and the response of the profiles to HIEPs are studied in calcium chloride (CaCl2) and sodium chloride (NaCl) solution by setting up a mathematical physics model. The electrostatic interactions using uniform dielectric constant of aqueous solvent in previous BD simulations[22] are revised by integrating the modified LD model to take the nonlinear response effect of dielectric saturation of aqueous solvent into considerations.
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