Simulation Tools for Electrolyte Characterization with QuantistryLab

Optimizing electrolyte formulation is essential to the development of high-performance batteries. QuantistryLab offers multiple simulation tools to investigate key properties of an electrolyte formulation that can be integrated in battery R&D workflows to reduce costs and development time.

The density of the electrolyte is a reliable measurement used in battery quality control to ensure the composition follows all manufacturing requirements. This use case showcases how QuantistryLab simulations accurately calculate the density of multiple combinations of typical electrolyte solvents.

The open circuit voltage (OCV) is a key property of a battery’s electrodes that determines its energy density. This use case shows how QuantistryLab’s simulations can be used to investigate and optimize the OCV of electrode materials.

A battery’s electrolyte will age over time, which can have significant effects on the performance of the battery cell. In this use case, QuantistryLab is used to study how the aging process affects the viscosity of the electrolyte and the battery’s overall performance.

Electrolyte decomposition is a major factor impacting the performance and safety of modern batteries. In this use case, QuantistryLab is employed to simulate and study the products of the thermal decomposition of a commercially available electrolyte contained in lithium-ion batteries.

Viscosity is an essential property of lubricants when it comes to performance. In this use case, the QuantistryLab platform is used to investigate the viscosity of a high-performance lubricant under a range of conditions using molecular dynamics simulations.