Table 1. Mean residence time of acetate ions, acetic acid and water around the PR calculated by integrating the contact autocorrelation function for these chemical species during the simulation of the PR monomer in 9 M AcOH.
S. No. | Chemical Species | Mean Residence Time |
1. | Acetate Ions | 2158 ps |
2. | Neutral Acetate Acid Molecules | 373 ps |
3. | Water Molecules | 156 ps |