Figure 20.
Force fields and benchmarks of dynamics properties of RTILs. (a) Examples of coarse grained and atomistic models of RTILs. Reproduced with permission from ref (233). Copyright 2020 American Chemical Society. (b) Comparison of simulated and experimental diffusion coefficients for imidazolium, pyrinidium, pyrrolinidium, alkylamonium, and piperidonium RTILs. The open and filled symbols represent results obtained with nonpolarizable and polarizable models, respectively. Reproduced with permission from ref (217). Copyright 2019 American Chemical Society (https://pubs.acs.org/doi/10.1021/acs.chemrev.8b00763 further permissions related to the material excerpted should be directed to the ACS).