Dielectric properties of water and water/ethylene glycol mixtures for use in pulsed power system design

Zahn, M.; Ohki, Yoshimichi; Fenneman, David B.; Gripshover, R.J.; Gehman, Victor H.

doi:10.1109/proc.1986.13611

Cited by 135 publications

(61 citation statements)

References 43 publications

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“…16) to calculate the static dielectric constant, for the force fields showing a better performance in the prediction of the dielectric spectrum in every case (water SPC, ethanol TraPPE.UA, ethylene glycol OPLS, propylene glycol GAFF, glycerol OPLS and MEA OPLS). Black circles represent experimental values obtained from different sources for the following systems: water [9.12], ethanol [16.18, 97], ethylene glycol [98], propylene glycol [99], glycerol [95,96,100,101] 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 …”

Section: Discussionmentioning

confidence: 99%

Molecular dynamics simulations for the prediction of the dielectric spectra of alcohols, glycols and monoethanolamine

Cardona

Fartaria

Sweatman

et al. 2015

Molecular Simulation

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This version is available at https://strathprints.strath.ac.uk/54062/ Strathprints is designed to allow users to access the research output of the University of Strathclyde. Unless otherwise explicitly stated on the manuscript, Copyright © and Moral Rights for the papers on this site are retained by the individual authors and/or other copyright owners. Please check the manuscript for details of any other licences that may have been applied. You may not engage in further distribution of the material for any profitmaking activities or any commercial gain. You may freely distribute both the url (https://strathprints.strath.ac.uk/) and the content of this paper for research or private study, educational, or not-for-profit purposes without prior permission or charge.Any correspondence concerning this service should be sent to the The response of molecular systems to electromagnetic radiation in the microwave region (0.3-300 GHz) has been principally studied experimentally, using broadband dielectric spectroscopy. However, relaxation times corresponding to reorganisation of molecular dipoles due to their interaction with electromagnetic radiation at microwave frequencies are within the scope of modern molecular simulations. In this work, fluctuations of the total dipole moment of a molecular system, obtained through molecular dynamics simulations, are used to determine the dielectric spectra of water, a series of alcohols and glycols, and monoethanolamine. Although the force fields employed in this study have principally been developed to describe thermodynamic properties, most them give fairly good predictions of this dynamical property for these systems. However, the inaccuracy of some models and the long simulation times required for the accurate estimation of the static dielectric constant can sometimes be problematic. We show that the use of the experimental value for the static dielectric constant in the calculations, instead of the one predicted by the different models, yields satisfactory results for the dielectric spectra, and hence the heat absorbed from microwaves, avoiding the need for extraordinarily long simulations or re-calibration of molecular models.

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Section: Discussionmentioning

confidence: 99%

Molecular dynamics simulations for the prediction of the dielectric spectra of alcohols, glycols and monoethanolamine

Cardona

Fartaria

Sweatman

et al. 2015

Molecular Simulation

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“…Fortunately, this deficiency of the present theory with respect to N does not degrade the accuracy of the theoretical dependences z top (E) and f (E), which seem to be the most important quantities in terms of possible applications. It is noteworthy that for aqueous solutions at the ambient conditions, the character- value is about one order of magnitude smaller than the critical breakdown field for water [33]. Another feature is worth noting.…”

Section: Resultsmentioning

confidence: 94%

Generation of mechanical force by grafted polyelectrolytes in an electric field

2016

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We study theoretically and by means of molecular dynamics (MD) simulations the generation of mechanical force by grafted polyelectrolytes in an external electric field, which favors its adsorption on the grafting plane. The force arises in deformable bodies linked to the free end of the chain. Varying the field, one controls the length of the nonadsorbed part of the chain and hence the deformation of the target body, i.e., the arising force too. We consider target bodies with a linear force-deformation relation and with a Hertzian one. While the first relation models a coiled Gaussian chain, the second one describes the force response of a squeezed colloidal particle. The theoretical dependences of generated force and compression of the target body on an applied field agree very well with the results of MD simulations. The analyzed phenomenon may play an important role in future nanomachinery, e.g., it may be used to design nanovices to fix nanosized objects.

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“…4(a), f≈31 MHz. Data from [18] shows that for water, at this frequency and 40 ºC, tanδ≈0.005. The resulting value of Ω = 12 0.…”

Section: Equivalent Electric Circuit and The Joule Energy Depositementioning

confidence: 87%

“…This arrangement was firstly described and theoretically analyzed in [16,17]. The barriers were made from ceramic material having a relative permittivity ε c =3200, much larger than the permittivity of water ε w =73 [18], both values corresponding to a temperature of 40°C. The experiments used water with a conductivity of about σ=500 µS/m.…”

Section: The Need For Proof-of-principle Experimentsmentioning

confidence: 99%

Demonstration of a Novel Pulsed Electric Field Technique Generating Neither Conduction Currents Nor Joule Effects

Novac

Banakhr

Smith

et al. 2014

IEEE Trans. Plasma Sci.

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Dielectric properties of water and water/ethylene glycol mixtures for use in pulsed power system design

Cited by 135 publications

References 43 publications

Molecular dynamics simulations for the prediction of the dielectric spectra of alcohols, glycols and monoethanolamine

Molecular dynamics simulations for the prediction of the dielectric spectra of alcohols, glycols and monoethanolamine

Generation of mechanical force by grafted polyelectrolytes in an electric field

Demonstration of a Novel Pulsed Electric Field Technique Generating Neither Conduction Currents Nor Joule Effects

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