system information. NQ: number of functional groups tethered per polymer chain, and the corresponding degree of functionality (DF) and ion exchange capacity (IEC). The values of water uptake (WU) are the same as experimental results for similar systems, which can be expressed as the number of water molecules per cationic group (λ). Npoly is the number of polymer molecules. NW is the number of water beads. NA is the number of anion beads.