The lack of complex schemes and proper kinetic studies for asphaltenes pyrolysis is a significant problem for understanding the reaction mechanisms. Therefore, this study evaluates various parameter estimation approaches (focusing on reaction rate coefficients and Arrhenius parameters), objective functions (sum of squared errors and average absolute errors), and reaction schemes (4-lump and 6-lump) for kinetic modeling of asphaltene pyrolysis. The reaction schemes include asphaltenes, maltenes, gases, and coke, as well as the fractionation of maltenes into polar aromatics, naphthene aromatics, and saturates. Both networks showed adequate accuracy, but the 6-lump model improves yield predictions. Using Method 1 (optimizing reaction rate coefficients) and the sum of square errors as the objective function yields the best accuracy. The analyses confirm that temperature influences selectivity: lower temperatures (below 390 °C) favor the generation of maltenes and gases, while higher temperatures (above 390 °C) promote coke formation. Extended high-temperature exposure leads to secondary cracking of maltenes. Furthermore, the key transformations include the cleavage of aliphatic chains, the aromatization of saturated aromatics, and the polyaddition of free radicals.
The pharmaceutical industry is a major source of pollution in wastewater effluents, characterized by chemical residues that are complex and difficult to degrade. Naproxen, a commonly detected drug in sewage effluents, exceeds safe concentrations for aquifers and is highly persistent, posing significant risks to aquatic life and ecosystems. This drug is known to cause long-term side effects in humans, such as gastrointestinal ulcers and nephrosis, associated with frequent and prolonged use. Additionally, the recent pandemic has led to a marked increase in drug consumption over a short period, exacerbating environmental contamination. Titanium dioxide has been extensively used as a photocatalyst in recent decades, proving effective in reducing these emerging pollutants. In this study, TiO2 doped with cerium was synthesized using the sol–gel method, with cerium concentrations varied at 1, 3, 5, and 10% by weight. The resulting nanocatalysts were characterized through nitrogen physisorption, scanning electron microscopy (SEM), X-ray diffraction (XRD), and UV-Vis diffuse reflectance spectroscopy. Photocatalytic activity was assessed using a UV-Vis spectrophotometer to monitor the degradation of the drugs. XRD analysis confirmed the crystallinity and anatase phase of TiO2. UV-Vis diffuse reflectance spectra indicated a decrease in bandgap energy of up to 3.00 eV compared to pure TiO2. The materials demonstrated significant degradation of naproxen (NPX) and acetaminophen (ACTP), both prepared at 30 ppm, over a 6 h reaction period.