Potential application of metal-organic frameworks (MOFs) for hydrogen storage: Simulation by artificial intelligent techniques

Metal-organic frameworks are a new class of materials for hydrogen adsorption/storage applications. The hydrogen storage capacity of this structure is typically related to pressure, temperature, surface area, and adsorption enthalpy. Literature provides no reliable correlation for estimating the hydrogen uptake capacity of MOFs from these easy-measured variables. Therefore, this study introduces several straightforward and accurate artificial intelligence (AI) techniques to fill this gap, initially determining the appropriate topology of AI-based methods, then comparing their performances by statistical criteria, and introducing the most accurate. This study used artificial neural networks, hybrid neuro-fuzzy systems, and support vector machines as estimators. The general regression neural networks (GRNN) with a spread of 7.92 × 10⁻⁴ shows the highest correlation with the literature data and provides a relative absolute deviation of 5.34%, mean squared error of 0.059, and coefficient of determination of 0.9946.