Phase transitions of ionic fluids in nanoporous electrodes
(2023) In European Physical Journal E 46(10).- Abstract
Abstract: In this work, we utilise grand canonical Metropolis Monte Carlo simulations, to establish pore-induced freezing of restricted primitive model fluids. A planar pore model is utilised, with walls that are initially neutral, and either non-conducting or perfectly conducting. The phase of the confined electrolyte (solid/fluid) displays an oscillatory dependence on surface separation, in narrow pores. Conditions are chosen so that the bulk is composed of a stable fluid electrolyte. The tendency for the electrolyte to freeze in narrow pores is somewhat stronger in systems with non-conducting walls. We also demonstrate that an applied potential will, above a threshold value, melt a frozen electrolyte. In these cases, the capacitance,... (More)
Abstract: In this work, we utilise grand canonical Metropolis Monte Carlo simulations, to establish pore-induced freezing of restricted primitive model fluids. A planar pore model is utilised, with walls that are initially neutral, and either non-conducting or perfectly conducting. The phase of the confined electrolyte (solid/fluid) displays an oscillatory dependence on surface separation, in narrow pores. Conditions are chosen so that the bulk is composed of a stable fluid electrolyte. The tendency for the electrolyte to freeze in narrow pores is somewhat stronger in systems with non-conducting walls. We also demonstrate that an applied potential will, above a threshold value, melt a frozen electrolyte. In these cases, the capacitance, as measured by the average surface charge density divided by the applied potential, will be almost vanishing if the applied potential is below this threshold value. We do not see any evidence for a “superionic fluid”, which has been hypothesised to generate a strong capacitance in narrow pores, due to an efficient screening of like-charge repulsions by image charges. Graphic abstract: [Figure not available: see fulltext.].
(Less)
- author
- Emrani, Ayeh LU ; Woodward, Clifford E. and Forsman, Jan LU
- organization
- publishing date
- 2023-10
- type
- Contribution to journal
- publication status
- published
- subject
- in
- European Physical Journal E
- volume
- 46
- issue
- 10
- article number
- 91
- publisher
- Springer
- external identifiers
-
- pmid:37792072
- scopus:85173024652
- ISSN
- 1292-8941
- DOI
- 10.1140/epje/s10189-023-00350-2
- language
- English
- LU publication?
- yes
- additional info
- Publisher Copyright: © 2023, The Author(s).
- id
- c888edc6-c112-40ec-90f4-9cd64b8503e0
- date added to LUP
- 2024-01-12 10:28:08
- date last changed
- 2024-04-13 03:57:40
@article{c888edc6-c112-40ec-90f4-9cd64b8503e0,
abstract = {{<p>Abstract: In this work, we utilise grand canonical Metropolis Monte Carlo simulations, to establish pore-induced freezing of restricted primitive model fluids. A planar pore model is utilised, with walls that are initially neutral, and either non-conducting or perfectly conducting. The phase of the confined electrolyte (solid/fluid) displays an oscillatory dependence on surface separation, in narrow pores. Conditions are chosen so that the bulk is composed of a stable fluid electrolyte. The tendency for the electrolyte to freeze in narrow pores is somewhat stronger in systems with non-conducting walls. We also demonstrate that an applied potential will, above a threshold value, melt a frozen electrolyte. In these cases, the capacitance, as measured by the average surface charge density divided by the applied potential, will be almost vanishing if the applied potential is below this threshold value. We do not see any evidence for a “superionic fluid”, which has been hypothesised to generate a strong capacitance in narrow pores, due to an efficient screening of like-charge repulsions by image charges. Graphic abstract: [Figure not available: see fulltext.].</p>}},
author = {{Emrani, Ayeh and Woodward, Clifford E. and Forsman, Jan}},
issn = {{1292-8941}},
language = {{eng}},
number = {{10}},
publisher = {{Springer}},
series = {{European Physical Journal E}},
title = {{Phase transitions of ionic fluids in nanoporous electrodes}},
url = {{http://dx.doi.org/10.1140/epje/s10189-023-00350-2}},
doi = {{10.1140/epje/s10189-023-00350-2}},
volume = {{46}},
year = {{2023}},
}