Modeling formation and distribution of toluene-2,4-diamine (TDA) after spillage of toluene-2,4-diisocyanate (TDI) into a river

► TDA is a minor hydrolysis by-product of TDI spilled into water. ► After spillage of TDI into water, maximum TDA concentration is about 30 mg/L. ► TDA formation and distribution after hypothetical TDI spillage is modeled. ► With appropriate experiments, the model can be adopted to other, water-reactive chemicals.