Abstract
We present a study of five commercially available Organic Friction Modifiers (OFMs) that combines micro-Infrared reflection absorption spectroscopy (IRRAS), classical MD, and DFT/DFT-MD computational methods. We investigate the relation between the molecular structure of the OFMs and their temperature-dependent friction performance. Classical dynamics simulations show that at low temperatures, the OFM molecules, arranged in self-assembled monolayers, undergo collective torsional motion during a friction event. This becomes progressively easier as temperature increases, resulting in lower friction coefficients, until a temperature where these collective motions cannot be maintained anymore, leading to an increase of the friction coefficient. Static DFT calculations indicate that the strength of the packing between OFM molecules determines the friction performance. The temperature at which the collective behavior fails coincides with the temperature at which the packing-free energy is found to diminish.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
