Chemical Simulations for Lubricants

With the aim of reducing friction of gears, ball bearings and similar components, lubricants are used in almost every industry: be it in automotive, mechanical engineering or energy production. With regard to chemistry, it is mostly a matter of interaction with surfaces depending on structure, temperature or pressure. With our chemical simulations for lubricants, the properties of oils and greases can be simulated reliably and cost-efficiently under different environmental conditions. 

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Film Formation

Surface Interaction

Investigate the interaction of different additives with various surfaces to determine the binding situation. Our platform empowers you to evaluate adsorption processes, binding strengths, wetting degrees and many more in an easy-to-use way.

Decomposition Process

Thermal Stability

Identify possible decomposition processes of a base oil or any other organic molecule to better understand key properties like the thermal stability of a lubricant. Within the Quantistry Lab these fragmentation processes can be easily simulated and visualized with only a few clicks.

Spectra Analysis

Structure Identification

Easy as never before: the Quantistry Lab enables you to characterize possible decomposition products and their spectroscopic signatures in the twinkling of an eye. This provides a link between experimental findings to gain an in-depth understanding of your lubricant.

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Surface Interaction of Additives

Whether in a gearbox, a rolling bearing or on a motorcycle chain, the goal of lubricant research is to ensure that oils and greases adhere to a surface as effectively as possible to reduce friction between materials. Therefore, the question arises if and how the lubricant components interact with surfaces. The binding situation is defined at the atomic level, which is why quantum chemical simulations are a powerful tool to identify, optimize and design innovative lubricants.

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Thermal Stabilities

Very often greases and oils are used under extreme conditions. Be it in a vehicle engine, industrial manufacturing or energy production. In many places, high temperatures of several hundred degrees Celsius, among other things, place special demands on the stability of lubricants. With the help of ab-initio simulations, possible fragmentations can be simulated cost- and time-efficiently. The possible resulting decomposition products can be characterized quantum-chemically in more detail.

Advantages of our Solution

  • Intuitive Web App

    Quantistry is made for all kind of experience levels. With only a few clicks you can optimize chemical reactions, design novel materials or predict their properties.

  • Browser-Based Solution

    All you need to access our cloud-based solution is an up-to-date web browser. There is no need for any kind of local installation, software updates or maintenance.

  • Pay-by-Use

    When you use our simulation platform, you only pay for the computing power you use, apart from a small annual fee. This makes your R&D highly cost-efficient.

  • Workflow Templates

    No need to reinvent the wheel: use existing use case-centric workflow templates or develop your own to work time efficiently.

  • Individual Compounds

    Upload your individual compounds and make them the subject of your analyses - under strictest security measures, of course.

  • Parallel Project Management

    Owing to cloud-based technology, you can run numerous projects and analyses simultaneously in the Quantistry Lab without risking delays.

Any Questions?

Jacek is happy to help!

[email protected] +49 (0)155 66 05 04 75