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Materials Modeling and Simulations Webinar - 31-05-2017

7:00am PST/10:00am EST/4:00pm CET

Topic: Simulating Rheological Process of Complex Systems using MAPS

This is part of Scienomics' monthly web seminar series which covers all aspects of Materials Science modeling and simulations with MAPS software platform including strategic application of M&S tools to solve business critical scientific challenges. If you are interested in previously recorded webinars, please email info@scienomics.com.

 

Objective

Rheological properties of materials, such as the viscosity, are an important material characteristic. They play a role in the selection of a solvent, a lubricant or a polymer solution. A good example would be high-performance synthetic oils, which are needed for excellent friction and wear characteristics, good oxidative and thermal stability and a wide operating temperature range.

There are various methods to determine the viscosity using molecular dynamics, namely the equilibrium Green Kubo method and also the more flexible non- equilibrium molecular dynamics simulation methods. Whilst both methods allow to predict the viscosity dependent on temperature, NEMD also predicts the shear rate dependency.

In this webinar we will introduce both methods and showcase their applicability on industry relevant examples. We will cover the following three examples:

  • Viscosity of a high performance synthetic oil for lubrication
  • Viscosity prediction of Ionic Liquids
  • Viscosity prediction for diluted polymer solutions.

In all cases we will showcase the entire workflow from Building models of the system to Simulating the process to Analyzing the results to determine the viscosity under different conditions.

We will be pleased to have you with us!

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