“…The equilibrium constants for reactions –, designated as K 1 , K 2 , K 3 , and K w , are expressed on the basis of molality by the following equations, respectively. In this paper, the activity of the proton, a H + = m H + γ H + , in the equilibrium mixture is calculated using the ELECNRTL equations , with the help of Aspen Plus, while the activity coefficient γ H + can be expressed by the following three terms: The natural logarithm of the activity coefficient of and can be described as follows: where Q e is the electron charge; ε and ε w are the dielectric constants of the solvent and water; z i and r i are the charge number of segment-based species i and the Born radius of segment species i ; M B , A φ , ρ, and I x symbolize the molecular weight of the solvent, the Debye–Hückel parameter, the closest approach parameter, and the ionic strength, respectively. lnγ c NRTL , lnγ a NRTL , and lnγ B NRTL are the local composition activity coefficients for the cation, the anion, and the solvent, which can be expressed as the following expressions: where X j is the effective mole fraction of species j and can be calculated by x j Z j ; τ is the energy parameter, and α is the nonrandomness factor; T ° is the reference temperature of 298.15 K; the subscripts w and ca denote the solvent (water) and the electrolyte (cation–anion), respectively.…”