Multiple Operando Fields Can Identify a Predictive Mass Transport Theory in Electrolytes
The Journal of Physical Chemistry C, vol. 129, pp. 2874–2882
Abstract
An electrolyte transport theory connects its transport properties, evolution of spatiotemporal fields (e.g., concentration), and corresponding macroscopic current and voltage responses. Given this interconnection, the transport properties are typically inferred by analyzing the macroscopic response through the lens of a chosen electrolyte transport theory. Unfortunately, the same macroscopic measurements can be analyzed by using different theories to arrive at seemingly dissimilar properties that are inconsistent with each other. We offer a resolution to this dilemma by analyzing multiple spatiotemporal (i.e., operando ) fields for a given electrolyte. We show that predictive transport theory can analyze operando fields to estimate underlying transport properties and subsequently predict another operando field. A theory passing this test identifies meaningful transport properties such that the electrolyte behavior can be accurately predicted over a wide range of excitations, and is critical to property-based electrolyte screening and electrolyte discovery efforts.
Authors 5
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Aashutosh N. Mistry corresponding
Affiliation as printed
Argonne National Laboratory
Chemical Sciences and Engineering Division
Joint Center for Energy Storage Research
Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, Illinois 60439, United States
Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, Illinois 60439, United States
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Forschungszentrum Jülich · RWTH Aachen University
Affiliation as printed
Forschungszentrum Jülich GmbH, Institute for a Sustainable Hydrogen Economy (INW), Marie-Curie-Straße 5, 52428 Jülich, Germany
RWTH Aachen University, Institute of Physical Chemistry, Landoltweg 2, 52074 Aachen, Germany
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University of Colorado Boulder
Affiliation as printed
Department of Chemical and Biological Engineering
Joint Center for Energy Storage Research
Materials Science and Engineering Program
University of Colorado
Department of Chemical and Biological Engineering, University of Colorado, Boulder, Colorado 80309, United States
Joint Center for Energy Storage Research, University of Colorado, Boulder, Colorado 80309, United States
Materials Science and Engineering Program, University of Colorado, Boulder, Colorado 80309, United States
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Lawrence Berkeley National Laboratory · University of California, Berkeley
Affiliation as printed
Department of Chemical and Biomolecular Engineering
Joint Center for Energy Storage Research
Lawrence Berkeley National Laboratory
Materials Science Division
University of California
Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720, United States
Joint Center for Energy Storage Research, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States
Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States
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Venkat N. Srinivasan corresponding
Affiliation as printed
Argonne National Laboratory
Chemical Sciences and Engineering Division
Joint Center for Energy Storage Research
Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, Illinois 60439, United States
Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, Illinois 60439, United States
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