Calculation of viscosities of complex lubricants using ultra-accelerated quantum chemical molecular dynamics

Ugur Mart, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Carlos A. Del Carpio, Akira Miyamoto

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

A computational chemistry approach for the viscosity prediction of liquids has been developed. The method for the viscosity calculation of liquids is based on the classical falling-ball technique, in which the viscosity can be determined with a measurement ball and described by Stokes-Einstein relations where the dynamic viscosity is related to the terminal velocity of the ball and the forces on it. The viscosity evaluation program was developed based on an integrated molecular dynamics program. The results revealed the compatibility of the computational approach for viscosity calculation of the liquids. This computational approach for viscosity evaluation has the potential of being the simplest and the easiest method among the currently used theoretical methods. It will also be useful in understanding the design and characterization of new lubricants and physico-chemical properties of different liquid systems at the molecular level. This is an abstract of a paper presented at the 2009 World Tribology Congress (Kyoto, Japan 9/6-11/2009).

Original languageEnglish
Title of host publicationWorld Tribology Congress 2009 - Proceedings
Number of pages1
Publication statusPublished - 2009 Dec 1
EventWorld Tribology Congress 2009 - Kyoto, Japan
Duration: 2009 Sep 62009 Sep 11

Other

OtherWorld Tribology Congress 2009
CountryJapan
CityKyoto
Period09/9/609/9/11

ASJC Scopus subject areas

  • Process Chemistry and Technology
  • Mechanical Engineering

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    Mart, U., Tsuboi, H., Hatakeyama, N., Endou, A., Takaba, H., Del Carpio, C. A., & Miyamoto, A. (2009). Calculation of viscosities of complex lubricants using ultra-accelerated quantum chemical molecular dynamics. In World Tribology Congress 2009 - Proceedings