Approximation error model (AEM) approach with hybrid methods in the forward-inverse analysis of the transesterification reaction in 3D-microreactors

This work advances the approximation error model approach for the inverse analysis of the biodiesel synthesis using soybean oil and methanol in 3D-microreactors. Two hybrid numerical-analytical approaches of reduced computational cost are considered to offer an approximate forward problem solution for a three-dimensional nonlinear coupled diffusive-convective-reactive model. First, the Generalized Integral Transform Technique (GITT) is applied using approximate non-converged solutions of the 3D model, by adopting low truncation orders in the eigenfunction expansions. Second, the Coupled Integral Equations Approach (CIEA) provides a reduced mathematical model for the average concentrations, which leads to inherently approximate solutions. The AEM approach through the Bayesian framework is illustrated in the simultaneous estimation of kinetic and diffusion coefficients of the transesterification reaction. For this purpose, the fully converged GITT results with higher truncation orders for the 3D partial differential model are employed as reference results to define the approximations errors. The results highlight that either the non-converged solutions via GITT or the reduced model solution obtained via CIEA, when taking into account the model error, are robust and cost-effective alternatives for the inverse analysis of nonlinear convection-diffusion-reaction problems.