It established a model for estimating the concentrations of heavy metals pollutants in exhaust gas and waste water from coal-burning power plants. By studying the sources, forming processes and the probable effects to environment of the main heavy metals pollutants(（Hg，As，Cd，Pb，Cr）)in exhaust gas and waste water from coal burning power plants. The prediction of heavy metals pollutants in exhaust gas was based on conventional calculating model. The key factors were ascertained, the material conservation theory and the on-line data of coal quality were used to build the formula for calculating the quantity and the concentration of the gas contaminants. The predict of heavy metals pollutants in water had aimed at the status of ash-flushing system in power plants, ash-water in two different types ash-flushing systems was researched separately. Not only the material conservation for macroscopically consideration, but also several chemical reaction that probably exit in ash-water were took into account. The power plant monitor and prediction software using VB and access database were developed based on the above prediction model.