Insight into the ionic atmosphere effect: Comparison of theories for electrolytes at the primitive level

In their seminal paper of 1923, Debye and Hückel provided the first appropriate description effect ionic strength on thermodynamic properties dilute electrolyte solutions. This landmark work paved way for what was later called primitive model electrolytes. At this level, an solution is modeled as a collection charged hard spheres in dielectric continuum that manifests itself only through its constant. Numerical simulations have been reported literature salts continuous solvent. present work, results obtained using various analytical theories are compared with Monte-Carlo (MC) simulation data (expected to be ‘exact’) taken from literature, case binary electrolytes solvent mimicking water. The include Debye–Hückel theory, mean-spherical approximation (MSA), Pitzer approach. MC about mean salt activity osmotic coefficients, also individual ion coefficients. Moreover, some remarks made assumptions underlying framework, new formulas derived coefficients by following method Pitzer.