Mass & energy balance-assisted data-driven models.
In a 2022 publication in Computers and Chemical Engineering (see here), we used material and energy balances and the time-resolved temperature measurements to back-calculate the values of reaction rates assisted at different times during a set of batch polymerization runs. These back-calculated data of the reaction rates are used to estimate DRSM models. We can then optimize the batch process without the need for an explicit model of the polymerization rate.