This page contains supplementary data to a paper:
Alexander Lyubartsev and Stjepan Marcelja
"Evaluation of effective ion-ion potentials in aqueous electrolytes
"
Physical Review E, 65(4), 041202 (2002)
Ion-ion radial distribution functions in 0.5M and 1M NaCl aqueous solution, calculated from 10 ns molecular dynamics simulations: : NaClrdf.dat
Short-range part of effective potential:
These data are calculated from the given above radial
distribution functions by the inverse MC method and by the HNC approximation.
The potentials are given in kT units. The Coulombic part is subtructed
| 0.5 M solution: | Na-Na potential | Na-Na_Veff_0.5M.dat |
| Na-Cl potential | Na-Cl_Veff_0.5M.dat | |
| Cl-Cl potential | Cl-Cl_Veff_0.5M.dat | |
| 1 M solution: | all 3 potentials | NaCl_Veff_1M.dat |