This study aimed at characterizing the composition and performing chemical speciation modelling to determine species that are abundant in the coal fly ash (CFA) and soil samples sourced from Hendrina Power station located in Mpumalanga Province. All CFA samples were alkaline in nature with pH values ranging between 8.11 ± 0.07 and 8.60 ± 0.03 with an electrical conductivity (EC) ranging between 301.70 and 1515.00 µS/cm while EC of control soil was 103.10 µS/cm. The control soil pH was found to be 6.24 ± 0.13 and total organic carbon values ranged between 2.68 and 85.82 mg/kg and some percentage organic carbon values of CFAs were found to be greater than 8%, which is above the permissible limits of hazardous waste dumping. Oxidation-reduction potential values were negative in all CFA samples and positive in soil. The speciation modelling showed that the potential for a trace metal to have hazardous effects in soil systems depends on its concentration, specific form and interactions with other constituents in CFA. The slow release of metals from CFA to soil was assessed by looking at how a given metal is distributed throughout its several possible chemical forms. The presence of divalent cations (Pb2+, Cu2+, Zn2+, etc.) in CFAs might pose a threat to soil quality. In the competition for binding sites on ferric hydroxides, dissolved metal ions faced off against other metals. Protons (H+) were seen to be in competition with Pb, Cu and Zn for the ability to bind to hydroxyl (OH-) groups and this is due to chemical precipitation and surface complexation.