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Title: Computer model for characterizing, screening, and optimizing electrolyte systems

Electrolyte systems in contemporary batteries are tasked with operating under increasing performance requirements. All battery operation is in some way tied to the electrolyte and how it interacts with various regions within the cell environment. Seeing the electrolyte plays a crucial role in battery performance and longevity, it is imperative that accurate, physics-based models be developed that will characterize key electrolyte properties while keeping pace with the increasing complexity of these liquid systems. Advanced models are needed since laboratory measurements require significant resources to carry out for even a modest experimental matrix. The Advanced Electrolyte Model (AEM) developed at the INL is a proven capability designed to explore molecular-to-macroscale level aspects of electrolyte behavior, and can be used to drastically reduce the time required to characterize and optimize electrolytes. Although it is applied most frequently to lithium-ion battery systems, it is general in its theory and can be used toward numerous other targets and intended applications. This capability is unique, powerful, relevant to present and future electrolyte development, and without peer. It redefines electrolyte modeling for highly-complex contemporary systems, wherein significant steps have been taken to capture the reality of electrolyte behavior in the electrochemical cell environment. This capability canmore » have a very positive impact on accelerating domestic battery development to support aggressive vehicle and energy goals in the 21st century.« less
Publication Date:
OSTI Identifier:
Report Number(s):
NGEM1.0-AEM; 002575IBMPC00
DOE Contract Number:
Software Revision:
Software Package Number:
Software Package Contents:
Media Directory; Software Abstract; Media includes Other;/ 1 CD-ROM
Software CPU:
Open Source:
Source Code Available:
Other Software Info:
This software code falls under the Jurisdiction of the US Department of Commerce, under 15 CFR 774, as Export Control Classification Number (ECCN) 0D999 Specific software, as follows (see List of Items Controlled). This technology is restricted for AT (anti-terrorism), and RS Controls. AT applies to the entire entry. A license is required for items controlled by this entry to North Korea for anti-terrorism reasons. The Commerce Country Chart is not designed to determine AT license requirements for this entry. See 19 of the EAR for additional information. RS applies to entire entry. A license is required for items controlled by this entry for export or re-exports to Iraq or transfer within Iraq for regional stability reasons. The Commerce Country Chart is not designed to determine RS license requirements for this entry. See 742.6 and 746.3 of the EAR for additional information.
Research Org:
Idaho National Laboratory
Sponsoring Org:
Country of Publication:
United States

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