Through rigorous thermodynamic analysis, the phenomenon of chemical synergy in complex chemical processes has been elucidated. Experimental methods in water sciences often involve studying the effects of various chemical combinations and concentrations on water quality and behavior. Understanding chemical synergy helps researchers design experiments that account for the combined effects of different chemical components, leading to more accurate and insightful results. Overall, chemical synergy informs and enhances numerical and experimental methods, as well as data analyses, in water sciences by providing a more comprehensive understanding of the complex interactions between chemical components in water systems. Chemical synergy manifests in various ways, depending on factors such as reactant structures and process energies. Essentially, any chemical interaction depends on the chemical composition of the reaction mixture, temperature, and pressure. Chemical synergy is governed by the intensity of these parameters, particularly temperature, pressure, and concentration ratios of chemical agents, that is the chemical composition. It is established that in complex processes, synergy leads to the formation of mixed compounds, enabling the exploration or prediction of necessary effects. The absence of synergy in some cases may result from the lack of measuring certain properties. Moving forward, software programs should account for mixed compound formation in seeking synergistic effects. Additionally, discovering synergy necessitates considering mixed compound or complex formation. These findings are pivotal for exploring and designing new synergistic processes. The deduced relationships will be extremely useful for the search and directed design of new synergistic processes with required properties. Future research will focus on isolating and characterizing mixed compounds, along with providing detailed thermodynamic and kinetic insights through theoretical calculations, complementing empirical observations.