About the reaction of NO2 with water

There should be a reaction between NO2 and water, producing nitrate and NO. When I finished the simulation, as shown in the diagram, why was there no nitrate?

If you are running molecular dynamics simulations and expect to see a change in the chemical species inside the box, I strongly encourage you to take a look at what MD simulations are and reconsider what you want to achieve with them.

1 Like