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Phase transition in porous electrodes. III. For the case of a two component electrolyte
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10.1063/1.4809743
/content/aip/journal/jcp/138/23/10.1063/1.4809743
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/23/10.1063/1.4809743
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Schematic picture of the model for porous electrodes used for the Monte Carlo simulation. Six electrode planes are placed parallel to each other. Voltage is applied between three electrode planes on the left and the other three electrode planes on the right. Ions (shown in circles) are inserted into or removed from the regions denoted and in this study. and ΔΦ denote pore size and applied voltage, respectively. The electrode planes are denoted plane 1, plane 2, …, plane 6 from left to right. The corresponding surface charge densities are denoted σ, σ, …, σ, respectively. Reprinted with permission from K. Kiyohara, T. Sugino, and K. Asaka, J. Chem. Phys. , 154710 (2011); and K. Kiyohara, H. Shioyama, T. Sugino, and K. Asaka, , 094701 (2012). Copyright 2011 and 2012 AIP Publishing LLC.

Image of FIG. 2.
FIG. 2.

Surface charge density for pore sizes = 1.1 (a), 1.5 (b), 2.0 (c), 4.0 (d), and 8.0 (e). Surface charge density in the anode (σ and σ in Fig. 1 ) and that in the cathode (σ and σ) are shown in black circles and red squares, respectively. First order phase transition and hysteresis was observed for = 1.1.

Image of FIG. 3.
FIG. 3.

Ion concentration in the anode for pore sizes = 1.1 (a), 1.5 (b), 2.0 (c), 4.0 (d), and 8.0 (e). Red and blue circles denote cation and anion concentrations for component 1, respectively. Orange and cyan squares denote cation and anion concentrations for component 2, respectively.

Image of FIG. 4.
FIG. 4.

Ion concentration in the cathode for pore sizes = 1.1 (a), 1.5 (b), 2.0 (c), 4.0 (d), and 8.0 (e). Keys are the same as in Fig. 3 .

Image of FIG. 5.
FIG. 5.

Density profile in the anode and the cathode for pore sizes = 1.5, 2.0, 4.0, and 8.0. The results for voltage ϕ = 0.04 are plotted in (a) and (b) for the anode and the cathode, respectively. Those for = 1.5, 2.0, and 4.0 are shifted upwards by 0.18, 0.09, and 0.04, respectively, for clarity. The results for voltage ϕ = 0.08 are plotted in (c) and (d) for the anode and the cathode, respectively. Those for = 1.5, 2.0, and 4.0 are shifted upwards by 0.58, 0.24, and 0.07, respectively, for clarity. Red and blue lines denote cation and anion concentrations for component 1, respectively. Orange and cyan lines denote cation and anion concentrations for component 2, respectively.

Image of FIG. 6.
FIG. 6.

Pressure in the anode (a) and in the cathode (b). Black circles, red squares, green diamonds, blue up triangles, and brown left triangles denote pore sizes = 1.1, 1.5, 2.0, 4.0, and 8.0, respectively. For = 1.1, the results for decreasing the voltage are shown in shaded symbols.

Image of FIG. 7.
FIG. 7.

Surface charge density for pore sizes = 1.1 (a), 1.5 (b), 2.0 (c), 4.0 (d), and 8.0 (e) when the cations of component 1 and those of component 2 are indistinguishable. The keys are the same as in Fig. 2 .

Image of FIG. 8.
FIG. 8.

Ion concentration in the anode for pore sizes = 1.1 (a), 1.5 (b), 2.0 (c), 4.0 (d), and 8.0 (e) when the cations of component 1 and those of component 2 are indistinguishable. Red circles denote cation concentration of both components. Blue circles and cyan squares denote anion concentrations for components 1 and 2, respectively.

Image of FIG. 9.
FIG. 9.

Ion concentration in the cathode for pore sizes = 1.1 (a), 1.5 (b), 2.0 (c), 4.0 (d), and 8.0 (e) when the cations of component 1 and those of component 2 are indistinguishable. The keys are the same as in Fig. 8 .

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/content/aip/journal/jcp/138/23/10.1063/1.4809743
2013-06-19
2014-04-16
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Phase transition in porous electrodes. III. For the case of a two component electrolyte
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/23/10.1063/1.4809743
10.1063/1.4809743
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