Bayesian Symbolic Learning to Build Analytical Correlations from Rigorous Process Simulations: Application to CO2Capture Technologies

Valentina Negri, Daniel Vázquez, Marta Sales-Pardo, Roger Guimerà, Gonzalo Guillén-Gosálbez

Research output: Indexed journal article Articlepeer-review

7 Citations (Scopus)

Abstract

Process modeling has become a fundamental tool to guide experimental work. Unfortunately, process models based on first principles can be expensive to develop and evaluate, and hard to use, particularly when convergence issues arise. This work proves that Bayesian symbolic learning can be applied to derive simple closed-form expressions from rigorous process simulations, streamlining the process modeling task and making process models more accessible to experimental groups. Compared to conventional surrogate models, our approach provides analytical expressions that are easier to communicate and manipulate algebraically to get insights into the process. We apply this method to synthetic data obtained from two basic CO2capture processes simulated in Aspen HYSYS, identifying accurate simplified interpretable equations for key variables dictating the process economic and environmental performance. We then use these expressions to analyze the process variables' elasticities and benchmark an emerging CO2capture process against the business as usual technology.

Original languageEnglish
Pages (from-to)41147-41164
Number of pages18
JournalACS Omega
Volume7
Issue number45
DOIs
Publication statusPublished - 15 Nov 2022
Externally publishedYes

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