Open AccessKinetic Study of Product Distribution Using Various Data-Driven and Statistical Models for Fischer–Tropsch Synthesis
Author(s) -
Yixiao Wang,
Jing Hu,
Xiyue Zhang,
Abubakar Yusuf,
Binbin Qi,
Huan Jin,
Yiyang Liu,
Jun He,
Yunshan Wang,
Gang Yang,
Yi Sun
Publication year - 2021
Publication title -
acs omega
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.779
H-Index - 40
ISSN - 2470-1343
DOI - 10.1021/acsomega.1c03851
Subject(s) - response surface methodology , product distribution , matrix (chemical analysis) , fischer–tropsch process , biological system , computer science , genetic algorithm , design matrix , algorithm , materials science , regression analysis , chemistry , machine learning , catalysis , biochemistry , composite material , selectivity , biology
Three modeling techniques, namely, a radial basis function neural network (RBFNN), a comprehensive kinetic with genetic algorithm (CKGA), and a response surface methodology (RSM), were used to study the kinetics of Fischer-Tropsch (FT) synthesis. Using a 29 × 37 (4 independent process parameters as inputs and corresponding 36 responses as outputs) matrix with total 1073 data sets for data training through RBFNN, the established model is capable of predicting hydrocarbon product distribution i.e., the paraffin formation rate (C 2 -C 15 ) and the olefin to paraffin ratio (OPR) within acceptable uncertainties. With additional validation data sets (15 × 36 matrix with total 540 data sets), the uncertainties of using three different models were compared and the outcomes were: RBFNN (±5% uncertainties), RSM (±10% uncertainties), and CKGA (±30% uncertainties), respectively. A new effective strategy for kinetic study of the complex FT synthesis is proposed: RBFNN is used for data matrix generation with a limited number of experimental data sets (due to its fast converge and less computation time), CKGA is used for mechanism selections by the Langmuir-Hinshelwood-Hougen-Watson (LHHW) approach using a genetic algorithm to find out potential reaction pathways, and RSM is used for statistical analysis of the investigated data matrix (generated from RBFNN through central composite design) upon responses and subsequent singular/multiple optimizations. The proposed strategy is a very useful and practical tool in process engineering design and practice for the product distribution during FT synthesis.