Composition-dependent thermodynamic and mass-transport characterization of lithium hexafluorophosphate in propylene carbonate

Journal article

A complete set of thermodynamic and mass-transport properties is determined for solutions of in propylene carbonate at , elucidating the composition dependences of six independent primary material parameters. Mass density is correlated with concentration to parameterize the partial molar volumes of electrolyte and solvent. Conductometry and Hittorf experiments yield correlations for equivalent conductance and cation transference number, respectively. A theoretical analysis connects the measured transference number to transport numbers measured by other standard approaches. Concentration-cell measurements yield the thermodynamic Darken factor; voltammetric restricted diffusion quantifies diffusivity. A Bruggeman factor is measured to relate true transport properties to the effective properties in polarization cells with glass-fiber separators. Taken together, the data reveal how the three Stefan–Maxwell diffusivities vary with composition, in terms of functions that interpolate between 0.2 M and 2 M. The property set is validated by simulations, which match voltage-relaxation experiments excluded from the parameterization.

Authors: Hou, T; Monroe, C

• Publication status: Published
• Peer review status: Peer reviewed
• Publisher: Elsevier
• Journal: Electrochimica Acta
• Volume: 332
• Article number: 135085
• Publication date: 2019-10-19
• Acceptance date: 2019-10-14
• DOI: 10.1016/j.electacta.2019.135085
• ISSN: 0013-4686
• Language: English
• Keywords: FFR