Electrolyte decomposition is a major challenge in battery R&D, impacting both battery performance and safety. Over time, chemical reactions degrade the electrolyte, leading to toxic by-products, gas formation, and reduced efficiency—issues that worsen under thermal decomposition conditions, particularly in lithium-ion batteries. Understanding and mitigating these degradation pathways is crucial for enhancing battery safety and longevity.

Traditional experimental methods for studying electrolyte aging and decomposition products are complex, time-consuming, and costly. In this use case, QuantistryLab’s quantum nanoreactor was used to simulate the thermal decomposition of a commercially available electrolyte, identifying hazardous by-products such as flammable hydrocarbons, corrosive acids, and phosphorus-fluoride compounds. By modeling these reactions at the molecular level, researchers can predict safety risks and refine electrolyte formulations before lab testing.

With QuantistryLab’s battery simulation capabilities, developers can proactively design electrolytes with improved thermal stability, reducing safety risks while enhancing battery performance and lifespan.

How can battery simulations transform electrolyte decomposition research? Explore the possibilities with QuantistryLab.