The chemical reaction of trioctylamine (TOA) and sulfuric acid in organic solvent/aqueous solution was carried out. TOA salt products of various kinds were obtained based on different conditions of operation and organic solvents. An equilibrium model, based on the chemical reaction of sulfuric acid and trioctylamine, is proposed. The equilibrium constants of various reactions of trioctylamine and sulfuric acid were searched by means of the modified LETAGROP-DISTR computer program, from which the sum of the least-square error of the extraction of sulfuric acid per unit concentration of TOA salts was minimized. The corresponding concentration profiles of the various main products as a function of the activity of sulfuric acid in the aqueous solution were also obtained. The activity coefficient of the sulfuric acid in the aqueous phase and the density of the aqueous solution of sulfuric acid were considered in order to evaluate the activity of the sulfuric acid in the aqueous solution more accurately. The results obtained from the proposed model are consistent with that of Wilson's published model.