Atomistic description of hydrated sulfonated and crosslinked polycyclohexadiene (sxPCHD) with only the polymer shown at a water content of 10 H20/HSO3 and at T = 353 K and p = 1 atm. (H atoms in CHx groups are simulated using a united-atom potential.)

legend:
  • hydrogen - white
  • carbon - gray
  • oxygen of H2O and polymer - red
  • oxygen of H3O+ - red
  • sulfur - yellow
  • chlorine - maroon