Systems and methods for data set completion for use in chemical process settings

By integrating physics-based models with machine learning models, the systems and methods address the challenges of data set completeness and efficiency in chemical processes, enabling real-time adjustments and improved process efficiency.

WO2025061640A1 Publication Date: 2025-03-27SABIC GLOBAL TECHNOLOGIES BV
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Patent Information

Application Number
PCT/EP2024/075833
Authority / Receiving Office
WO · WO
Patent Type
Applications
Current Assignee / Owner
Priority Date
2023-09-18
Filing Date
2024-09-17
Publication Date
2025-03-27

AI Technical Summary

Technical Problem

Existing methods for generating data sets in chemical processes, such as polymerization operations, face challenges in completeness, interpretability, and efficiency, particularly when relying on machine learning models that lack interpretability and first-principle-based models that require expert knowledge and are time-consuming.

Method used

The proposed systems and methods integrate physics-based models with trained machine learning models to generate substantially complete or augmented data sets. This involves preprocessing real-time data, applying it to physics-based models to produce new parameters, and then using these outputs within machine learning models to predict and complete the data set, allowing for faster adjustments to polymerization operation settings and polymeric compositions.

Benefits of technology

This approach enables faster and more accurate analysis and completion of data sets, allowing for real-time adjustments to polymerization operations, which can lead to improved product quality and process efficiency by optimizing settings such as temperature, pressure, and catalyst usage.

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Abstract

Disclosed here are methods and systems to generate a substantially complete data set associated with a polymerization operation. In an embodiment, a method may include receiving the data set associated with the polymerization operation. The method may include determining, via application of at least the portion of the data set to a physics based model, one or more new polymerization operation parameters or compositions. The method may include adding the one or more new polymerization operation parameters or compositions to the data set to generate an augmented data set. The method may include determining, via application of the augmented data set to a machine learning model, one or more polymerization operation or composition predictions. The method may include updating the augmented data set, based on the one or more polymerization operation or composition predictions, to form a substantially complete data set for use in optimization of polymerization operation settings.
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