Verfahren und Vorrichtung zur Vorhersage der Chemischen Form und Chemischen Reaktion eines Mehrphasigen Systems

Details

Veröffentlichungs-Nr.

EP4793955

Anmeldetag

31. Dezember 2024

Veröffentlichung

14. August 2025

Rechtsraum

EP

IPC

G16C20/30, G06N3/04, G06N3/08

Abstract

This application provides a method and apparatus for predicting chemical states and a chemical reaction in a multiphase system. The method includes: obtaining a key condition corresponding to the multiphase system, and the key condition includes: temperature, pressure, a plurality of element types, and respective amounts thereof; predicting and obtaining chemical state information under the key condition by using a Gibbs free energy minimization method, and the chemical state information includes a plurality of pure substance species and respective amounts thereof when the multiphase system reaches thermodynamic equilibrium; predicting and obtaining a chemical reaction that will occur in the multiphase system under the key condition based on the chemical state information. This application can improve the accuracy and efficiency of predicting the chemical reaction in the multiphase system, based on the prediction of the chemical states of elements in the system.

Anmelder

Firma

Tsinghua University

Land

🇨🇳 China

Fachgebiete