Method and system for simulating and predicting metal coverage in solution

The invention provides a method and system for simulating and predicting metal coverage in a solution, and the method comprises the steps: obtaining a first modeling parameter of target metal and a second modeling parameter of a target solution; establishing a metal surface model of the target metal and a solution system model of the target solution according to the first modeling parameter and the second modeling parameter; the metal surface model is combined with the solution system model, a solid-liquid interface model is constructed, and the graphical state presented by the solid-liquid interface model is that the target metal is completely located in the target solution; the adsorption process of solute of the target solution on the surface of the target metal is simulated through the solid-liquid interface model at the preset temperature; and predicting the metal coverage degree of the target solution according to the simulation data generated in the adsorption process. The accuracy and convenience of p