Macroscopic and Microscopic Kinetic Analysis and Multiparameter Prediction Model Construction for Hydrogen-Enriched...

Area of Science:

• Chemical Engineering
• Combustion Science
• Safety Engineering

Background:

• Safe integration of hydrogen into the energy sector requires understanding its combustion properties when mixed with fuels like propane.
• Petrochemical processes involving fuel mixtures necessitate detailed analysis of explosion dynamics.

Purpose of the Study:

• To investigate the explosion characteristics of hydrogen-enriched propane mixtures.
• To establish correlations between macroscopic explosion parameters and microscopic chemical species concentrations.
• To develop a predictive model for explosion behavior.

Main Methods:

• Utilized Chemkin software for simulating explosion characteristics.
• Applied Gray Relational Analysis (GRA) to quantify parameter correlations.
• Employed Partial Least-Squares Regression (PLSR) for multiresponse modeling.

Main Results:

• Explosion pressure significantly increases up to 30% hydrogen, with a slower rise beyond 70%.
• Adiabatic flame temperature shows a rapid increase at higher hydrogen ratios.
• Key radical concentrations (H, O, OH) and H2O increase with hydrogen content, while CO2 decreases.
• The R1 reaction (H + O2 → O + OH) was identified as a critical chain reaction step.
• Strong correlations were found between explosion pressure, flame temperature, H2O, OH, and CO2 concentrations.

Conclusions:

• Hydrogen blending ratio significantly impacts explosion pressure and flame temperature.
• Microscopic species concentrations are strongly correlated with macroscopic explosion parameters.
• The developed PLSR model accurately predicts explosion characteristics, providing a theoretical basis for safe handling of hydrogen-enriched propane.