User Cases

>

Optimization of Plasticizer Properties | QuantistryLab Viscosity Simulations

Organic Chemistry

Optimization of Plasticizer Properties | QuantistryLab Viscosity Simulations

October 28, 2024

Plasticizers are essential additives that enhance the flexibility, durability, and processability of materials, making them widely used in industries ranging from construction to medical devices. Among their key plasticizer properties, viscosity plays a crucial role in determining plasticizer efficiency. However, traditional R&D methods for optimizing PVC plasticizers are time-consuming and costly.

This use case demonstrates how QuantistryLab leverages molecular dynamics to perform viscosity simulations of acetyl tributyl citrate (ATBC), a widely used PVC plasticizer. By predicting viscosity at specific temperature and pressure conditions, chemical simulations provide an accurate, efficient alternative to experimental testing, accelerating the development of next-generation plasticizers.

How can QuantistryLab's viscosity prediction streamline plasticizer formulation and drive innovation in sustainable chemicals?

Unlock The Full Article For Free!

Get Access

Share

Recommended Use Cases

From the QuantistryLab Community: Predicting the Properties of Complex Formulations with Multiscale Simulations

Quantistry is transforming how researchers design and optimize materials across industries. Among its most engaged community members, computational biophysicist Gleb Novikov has demonstrated the power of these simulations in decoding the molecular interactions of complex liquid formulations.

Learn More

Predicting Material Properties for Industry: QuantistryLab’s Electronic Structure Simulations

In materials science, a material’s electronic structure governs its fundamental behavior, influencing key industrial properties such as electrical conductivity, optical absorption, and chemical reactivity.

Learn More
Batteries

Low-Temperature Battery Performance: Predicting Electrolyte Diffusion with QuantistryLab

This use case illustrates how QuantistryLab enables users to simulate and predict the diffusion properties of electrolyte formulations under varying conditions.

Learn More