Optimization of Carbon Capture Solutions | QuantistryLab Viscosity Simulations

The optimization of key properties such as viscosity is essential for the development of carbon capture materials that work faster and more efficiently. This use case highlights how QuantistryLab can be used to calculate the viscosity of chemical compounds used in carbon capture applications.

The viscosity of a plasticizer is of major importance to its efficiency. In this use case, QuantistryLab is used to model a commercial plasticizer and predict its viscosity using molecular dynamics simulations.

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.