SIM-11 A NEW APPROACH ON CALCULATION OF VISCOSITIES OF COMPLEX LIQUIDS USING ULTRA-ACCELERATED QUANTUM CHEMICAL MOLECULAR DYNAMICS(Simulations of Micro/Nano Scale Phenomena III,Technical Program of Oral Presentations)

Abstract

A new computational chemistry approach has been developed and improved for the viscosity prediction of liquids that based on the "Falling-ball" principles using classical molecular dynamics method. Calculated viscosities showed good agreement with experimentally reported values. The developed method was proved to be an effective tool for evaluating viscosity of complex liquids.