Phase transition kinetics in lattice models of intercalation compounds

Lasovsky, R.N.; Bokun, G.S.; Vikhrenko, V. S.

doi:10.1016/j.ssi.2010.11.014

Cited by 3 publications

(2 citation statements)

References 33 publications

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“…[1][2][3][4][5] The literature contains a significant number of models for phase transformation intercalation electrodes of many chemistries. [4][5][6][7][8][9][10][11][12][13][14] In this work, we use graphite as the example material. Graphite is the single most common electrode in Li-ion batteries today.…”

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confidence: 99%

A Volume Averaged Approach to the Numerical Modeling of Phase-Transition Intercalation Electrodes Presented for Li_xC₆

Gallagher

Dees

Jansen

et al. 2012

J. Electrochem. Soc.

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An approach for the volume averaged numerical modeling of phase-transition intercalation electrodes is presented for lithiated graphite, Li x C 6 , in lithium-ion batteries. The proposed method directly treats phase formation and growth through a modified form of the Avrami equation enabling the physics-based mathematical model to capture the additional time constant observed in the two phase regions of lithiated graphite as well as a portion of the hysteresis commonly observed between charge and discharge voltage. The graphite phase diagram was taken to be composed of three stages, or phases, each with a Nernstian or ideal solution based equilibrium potential function. The behavior of the potential rise from a current pulse in the two-phase region is matched well with this methodology resulting in higher valued diffusion coefficients than found when only a single-phase approach is used. Simulated results for mesocarbon microbeads show the co-existence of all three phases within the electrode during higher rate discharges. Concentration dependent diffusion coefficients are found to be necessary to match experimental results at rates significantly higher than 1C. The model is shown to be capable of exhibiting core-shell behavior when fitted phase-transformation rate constants are sufficiently high in value, although not observed for MCMB.

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confidence: 99%

A Volume Averaged Approach to the Numerical Modeling of Phase-Transition Intercalation Electrodes Presented for Li_xC₆

Gallagher

Dees

Jansen

et al. 2012

J. Electrochem. Soc.

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“…It was previously shown [8,9] that the quasi-equilibrium thermally activated particle flux through the boundary between cells i and j can be written as…”

Section: Microscopic Equations and Impedance Spectramentioning

confidence: 99%

Microscopic Model of Intergrain Boundary Junction

Vikhrenko

Bokun

Орлюкас

et al. 2014

Procedia Engineering

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The statistical mechanics differential-difference equations for the ions concentration distribution that account for the diffusion, electrical conductivity and Poisson contributions are derived. They represent differential-difference analogues of the phenomenological continuity equations for the ions. Spatial inhomogeneities (grain interiors, grain boundaries, intergrain regions, etc.) can easily be taken into account by proper adjusting the system material parameters (diffusion coefficients or particle transition rates, electric conductivities, thermodynamic factors or chemical capacitances). The solution of the equations allows investigating impedance spectra of inhomogeneous systems, e. g. electro-conducting ceramics. The results can be used for interpretation of experimental impedance spectra and evaluation of the medium transport characteristics. A simple example of the intergrain boundary junction is considered.

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Nanostructurization caused by first order phase transitions in systems with hopping dynamics

2013

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Phase transition kinetics in lattice models of intercalation compounds

Cited by 3 publications

References 33 publications

A Volume Averaged Approach to the Numerical Modeling of Phase-Transition Intercalation Electrodes Presented for Li_xC₆

A Volume Averaged Approach to the Numerical Modeling of Phase-Transition Intercalation Electrodes Presented for Li_xC₆

Microscopic Model of Intergrain Boundary Junction

Nanostructurization caused by first order phase transitions in systems with hopping dynamics

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Phase transition kinetics in lattice models of intercalation compounds

Cited by 3 publications

References 33 publications

A Volume Averaged Approach to the Numerical Modeling of Phase-Transition Intercalation Electrodes Presented for LixC6

A Volume Averaged Approach to the Numerical Modeling of Phase-Transition Intercalation Electrodes Presented for LixC6

Microscopic Model of Intergrain Boundary Junction

Nanostructurization caused by first order phase transitions in systems with hopping dynamics

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A Volume Averaged Approach to the Numerical Modeling of Phase-Transition Intercalation Electrodes Presented for Li_xC₆

A Volume Averaged Approach to the Numerical Modeling of Phase-Transition Intercalation Electrodes Presented for Li_xC₆