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Calculating the Density of Electrolyte Formulations | QuantistryLab Multiscale Simulations
Calculating the Density of Electrolyte Formulations | QuantistryLab Multiscale Simulations
September 26, 2024
Lithium-ion batteries and accumulators are valued for their ability to store large amounts of energy in a small volume, making them the battery of choice for multiple applications ranging from electric vehicles to laptops and smartphones among many others.
As demand for better-performing battery technology grows, safety remains a key factor to consider when developing new battery materials. Currently, commercial-grade lithium-ion batteries carry the risk of swelling and exploding when the battery is exposed to a rapid increase in temperature. This phenomenon, called thermal runaway, occurs when the battery’s electrolyte comes into contact with oxygen, which can be caused by damage to the battery cell, exposure to direct sunlight or manufacturing defects.
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Optimization of Electrolyte Formulation for Battery Materials | QuantistryLab Viscosity Simulations
Optimizing electrolyte formulations is essential for the development of high-performance batteries. This use case explores how the QuantistryLab platform enables users to simulate and predict the viscosity of an electrolyte formulation.
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The interaction of the lubricant components with metallic or oxidized surfaces plays a fundamental role in the formation of a protective film. Atomistic simulations provide in-depth insights into the adsorption of additives on the surfaces, their binding mode and binding strength.
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The energy density of a battery cell largely depends on the materials used, making the search for optimal material compositions an important aspect of battery R&D.