In this research, the simulation and phase transfer of heavy metal solution in the river has been done by developing a one-dimensional qualitative model. Environmental parameters (T), temperature, dissolved oxygen, (DO) (pH) and salinity (EC) are considered as influencing parameters on the change in the concentration of the solution phase of heavy metals lead, cadmium and zinc in springs and wells of the displacement-diffusion equation. Became to determine the above hydrodynamic and environmental parameters for use in the developed model, Hec-Ras hydrodynamic model and Qual2kw qualitative model have been used. In decoupling the spring and well terms of the displacement-diffusion equation of the qualitative model developed using the measured data from the Sarouk River, various relationships were considered to relate the kinetic coefficient of the first-order reaction of the dissolved phase of heavy metals to the above environmental parameters. And to find the constant coefficients of these relations, the method of minimization of simulation errors and Vba coding was used, and the linear relation including all the above parameters is considered as the final relation. The kinetic coefficient of the reaction is different in different parts of the river, and to simulate and determine the concentration of the solution phase of heavy metals at each point, the kinetic coefficient of the reaction corresponding to the same point should be used. Also, there is a significant increase in the accuracy of the developed model if the above environmental parameters are used in the spring and well term of displacement-diffusion equations and the effect of other qualitative parameters is insignificant, which indicates its proper efficiency in simulating the dissolved phase of heavy metals in the river.