A machine-learning reduced kinetic model for H2S thermal conversion process

H2S is becoming more and more appealing as a source for hydrogen and syngas generation. Its hydrogen production potential is studied by several research groups by means of catalytic and thermal conversions. While the characterization of catalytic processes is strictly dependent on the catalyst adopted and difficult to be generalized, the characterization of thermal processes can be brought back to wide-range validity kinetic models thanks to their homogeneous reaction environments. The present paper is aimed at providing a reduced kinetic scheme for reliable thermal conversion of H2S molecule in pyrolysis and partial oxidation thermal processes. The proposed model consists of 10 reactions and 12 molecular species. Its validation is performed by numerical comparisons with a detailed kinetic model already validated by literature/industrial data at the operating conditions of interest. The validated reduced model could be easily adopted in commercial process simulators for the flow sheeting of H2S conversion processes.

Kinetic regularities of electrochemical oxidation of the methionine anion on platinated platinum

The purpose of this study was the determination of the kinetic regularities of the methionine electrooxidation process on the Pt(Pt) electrode in an aqueous-alkaline medium.The main kinetic regularities of the methionine anion electrooxidation process were determined using by the methods of cyclic voltammetry, coulometry, and electrochemical impedance spectroscopy. The concentration of methionine in the alkaline solution before and after anodic oxidation was determined spectrophotometrically using spectrophotometer UNICO 2800. The measurements were carried out at room temperature both in an argon atmosphere and in an aerated aqueous solution. The results of voltammetric measurements were adjusted for the limiting oxygen recovery current and the charging current of the double electric layer.The range of potentials of the electrochemical activity of the methionine anion on the Pt(Pt) electrode, the number of electrons involved in the anode process, and its kinetic scheme were determined. The main product of the electrooxidation of methionine in an alkaline medium on Pt(Pt) was the methionine sulfoxide anion. It was shown that the electrooxidation of the methionine anion on Pt (Pt) was carried out from the adsorbed state and was irreversible.

Modeling of a Reduced Hybrid H2–Air Kinetic Scheme Integrating the Effect of Hypersonic Reactive Air with Supersonic Combustion

A hybrid H2–air kinetic scheme of 11 species and 15 reactions is developed, which is capable of simulating the high-temperature air reaction flows and H2–O2 combustion flows respectively or simultaneously. Based on the Gupta scheme, the mole fraction varying with a Mach number at specific conditions is analyzed, and the weakly-ionized 7-species 7-reaction scheme is selected. The effect of nitrogenous species on the H2–O2 combustion is analyzed by a zero-dimensional simulation of steady-state and unsteady-state combustion under specified conditions, and the selected dominant nitrogenous reaction N + OH = NO + H is distinguished by the production rate of the nitrogenous species. The thermodynamic properties are verified by comparison using the NIST–JANAF database. The reaction rate coefficients of the dominant reaction of the hybrid kinetic scheme distinguished by a sensitivity analysis are corrected. The proposed kinetic scheme is validated by a zero-dimensional calculation of the ignition delay time and two-dimensional computational fluid dynamics (CFD) simulation with finite-rate chemistry on the shock-induced sub-detonative and super-detonative combustion. The ignition delay time of the hybrid kinetic scheme is almost in the middle between the Shang scheme and Jachimowski scheme, and all the calculated ignition delay times are acceptably greater than the experiments due to the errors of the experiments and numerical models. The clearly captured bow shock wave and combustion front using the hybrid kinetic scheme and Shang scheme are almost the same, which is strongly consistent with the schlieren image. In addition, a good agreement of the flow characteristics and mass fraction of the species along the stagnation line is also obtained, which indicates the accuracy and reasonableness of the hybrid kinetic scheme to simulate hybrid H2–air reactive flows.