Enhanced predictive optimization of methane dry reforming via ResponseSurface methodology and artificial neural network approaches: insights using a novel nickel-strontium-zirconium-aluminum catalyst

This study investigates the molecular dynamics of methane dry reforming catalyzed by a novel nickel-strontium-zirconium-aluminum (5Ni+3Sr/10Zr+Al) catalyst, leveraging both Response Surface Methodology (RSM) and Radial Basis Function Neural Network (RBFNN) for predictive optimization. Focusing on the impact of operational parameters—hourly space velocity, reaction temperature, and CO₂:CH₄ mole ratio—on the conversion rates and formation of reaction components, we aim to predict optimal conditions and corresponding process variables. Through a comparison of a three-layer Feed Forward Neural Network, optimized at a 3:10:1 topology, with traditional RSM approaches, our findings highlight the superior predictive capabilities of ANN models. Notably, ANN demonstrated exceptional performance with R²_adj and F_Ratio values significantly surpass those of RSM, alongside lower statistical error terms. This superiority is attributed to ANN's robust handling of nonlinear relationships between inputs and outputs, asserting its potential for enhancing predictive accuracy in chemical process optimization. At optimum predicted conditions like 1 CH₄/CO₂,750 °C reaction temperature, 12000 cm³g⁻¹h⁻¹ space velocity, NiSrZrAl outperformed with > 85 % CH₄ and CO₂ conversion with H₂/CO ∼1 up to 20 h time on stream. Our research underscores the importance of integrating advanced modeling techniques for the efficient and accurate prediction of catalytic reactions, offering valuable insights for future applications in chemical engineering and catalysis.