Study on aqueous solution of NaCl with Monte Carlo computer simulation

Using Monte Carlo computer simulation, the radial distribution and all kind s of configuration energies among species of aqueous solution of NaCl at am bient and high temperatures were studied. The NTV canonical ensemble is use d in the simulation. The interaction pair potentials considered include the coulombic electrostatic interaction, the dipole and the dispersion interac tions, which make up the main skeleton of the electrolyte solution. The sim ulated results are analyzed and compared with those predicted from perturba tion theory and integral equation theory under mean spherical approximation .