Implementation of multilinear look-up tables as surrogate models for the ethyl transesterification reactor in equation-oriented simulator EMSO

Christian De Oliveira Martins,Felipe Fernando Furlan,Roberto De Campos Giordano

doi:10.18540/jcecvl6iss4pp0467-0473

Christian De Oliveira Martins, Felipe Fernando Furlan + Show 1 more

Open Access

https://doi.org/10.18540/jcecvl6iss4pp0467-0473

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Abstract

The techno-economic analysis of chemical processes is usually based on steady state simulations. When dynamic processes are present, simplified or surrogate models are used to avoid the dynamic simulation of the overall system. Nevertheless, this usually results in loss of information when the simplified model is used or a large number of parameters when the surrogate model is applied. To circumvent this problem, a hybrid surrogate model is proposed that combines the low-cost prediction of the average behavior by a simplified model with the fine tuning provided by a multilinear look-up table. This concept was applied to the homogeneous alkaline transesterification of the soybean oil with ethanol in a batch reactor. The hybrid approach enabled a 70% reduction in the number of points of the look-up table compared to the pure interpolator model, for an accuracy tolerance of 0.01 mol/l.

Highlights

It is already a consensus that a shift towards a carbon neutral economy is mandatory
The global reaction rates are based on the pseudo-components that represent the triacyl glycerides (TG), diacyl glycerides (DG) and monoacyl glycerides (MG), the ethyl esters that compose the biodiesel (EE), along with the glycerol (GL) and the ethanol (ET)
The output variables were the concentrations of TG, DG and MG

Summary

Introduction

It is already a consensus that a shift towards a carbon neutral economy is mandatory To allow this transition, multiple options and sources will probably coexist, with biomass as an important source for both energy and materials (Giordano et al., 2020). Multiple options and sources will probably coexist, with biomass as an important source for both energy and materials (Giordano et al., 2020) In this context, a good alternative for petrochemical derived fuels is biodiesel. The biodiesel production is usually based on the transesterification reaction of a triacyl glyceride with an alcohol. It can be homogeneously catalyzed by acids, bases and enzymes or heterogeneously by oxides of alkaline earth metals, zeolites, immobilized enzymes, among other options (Guerrero, 2011)

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