Computationally predicted viscosities confirmed by experimental measurements.
Significance and Impact
The accuracy of the force field and reliability of the viscosity calculation method were confirmed by comparing calculated results with experimental measurement.
- The viscosities of several phosphonium-based ionic liquids were studied using the newly developed time-decomposition method and it was found that the viscosity of [P222(101)][pyrr] is the lowest among those studied.
- The viscosities were also measured experimentally and the trend is consistent with the simulated results.
Work performed at University of Notre Dame (JCESR Partner) and Kobe University by A. Otani, Y. Zhang, T. Matsuki, E. Kamio, H. Matsuyama and E.J. Maginn. Ind. Eng. Chem. Res. 2016, 55, 2821-2830