Materials Modeling and Simulations Webinar - 27-09-2018

Predicting Properties and Behavior of Lubricants and Refrigerants 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



Increasing performance requirements and legislation restrictions are challenges for lubricant and refrigerant industries. Product design of new materials or materials with specific properties is often very costly and time consuming. In particular, experiments at operating conditions can be difficult to realize, e.g. viscosity of lubricants or phase equilibrium of refrigerants at high pressure. Simulation techniques are ideally suited for calculating key properties such as rheological behavior, friction properties or solubility, which ultimately saves development cost and time.

This webinar is dedicated to demonstrating how materials simulations and thermodynamic modeling can predict with MAPS technology rheological behavior, friction properties, solubility or phase equilibrium at high pressure. The typical workflow to generate results from molecular modeling involves the steps BUILD > SIMULATE > ANALYZE which can all be performed with SCIENOMICS' multiscale simulation platform, MAPS.

Applications with a significant impact on industrial R&D will be addressed, with a focus on modeling

  • phase equilibrium and solubility of a hydrofluoroolefin (HFO) refrigerant
  • lubricant viscosity
  • friction behavior of a multi-component system

We will present simulation approaches for modeling and predicting properties of interest using Scienomics MAPS platform. Anyone interested in lubricant and refrigerant systems will benefit from this free webinar and Q&A session. We will be pleased to have you with us!



SCIENOMICS is recognized by its customers worldwide as the best solution provider in Materials Simulations. MAPS platforms thanks to its Scientific and Technical completeness is accepted as the industry-leading Materials Simulations platform and its users in industry and research institutions trust MAPS to BUILD > SIMULATE > ANALYZE complex materials and processes and guide experiment.

  • BUILD any type of polymers, composites, amorphous systems and mixtures, crystal structures, surfaces and interfaces, thermosets and cross-linked polymers, alloys and get direct access to large crystal databases and the corresponding publications.
  • SIMULATE using ABINIT, Quantum Espresso, NWChem, MOPAC, LAMMPS, GROMACS, Towhee and Scienomics' Monte Carlo / Chain Altering moves engine, Chameleon and GUIs to Turbomole and VASP. Exploit the untapped potential of your data using MAPS Machine Learning technology.
  • ANALYZE all type of properties including graphs, 3D-grid data and generate valuable properties such as viscosity, elastic properties, optical properties, heat of adsorption, energy barriers and many more.
  • DEPLOY seamlessly all MAPS simulation capability you need using MAPS-WORKFLOW technology and explore all potential solutions through a smart and scalable virtual High-throughput screening.

Anyone interested in chemical reactivity and smart materials simulations will benefit from this free webinar and Q&A session. We will be pleased to have you with us!


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