Reaction-rate parameters are given for the detailed chemistry of gas-phase hydrogen combustion, involving 21 reversible elementary steps. It is indicated that, when attention is restricted to specific combustion processes and particular conditions of interest, fewer elementary steps are needed. In particular, for calculating autoignition times over a wide range of pressures for temperatures between about 1000 and 2000 K, five irreversible elementary steps suffice, yielding a remarkable reduction in complexity. It is explained that, from a mathematical viewpoint, in terms of global reaction-kinetic mechanisms, the hydrogen–oxygen system in principle comprises only six overall steps. Rational reduced chemical mechanisms for hydrogen combustion therefore necessarily must have fewer than six overall steps. For autoignition over the range of conditions specified above, ignition times can be determined accurately by considering, in addition to an elementary initiation step and an elementary termination step, at most three overall steps for reaction intermediaries, which reduce to two for very fuel-lean conditions and to one for stoichiometric or fuel-rich conditions. The resulting reductions can simplify computations that need to be performed in risk analyses for hydrogen storage and utilization. 相似文献
The presence of disinfection byproducts (DBPs) such as trihalomethanes (THMs) and haloacetic acids (HAAs) in drinking water is of great concern due to their adverse effects on human health. Emerging regulation limiting the concentration of DBPs in drinking water has increased demands for technologies and processes which reduce the formation of DBPs in drinking water. In this study, UV-H2O2 based advance oxidation process (AOP) was used to treat raw surface water. Experiments were conducted using low pressure mercury vapor UV lamps in collimated beam and flow-through annular photoreactors. The effect of UV fluence (0–3500 mJ cm−2) and hydrogen peroxide concentration (0–23 mg l−1) in reducing the concentration of THMs and HAAs was examined. The UV-H2O2 AOP was then coupled with a downstream biological activated carbon (BAC) treatment to assess the synergetic benefits of combining the two treatments. It was observed that UV-H2O2 AOP was only effective at reducing DBPs at UV fluences of more than 1000 mJ cm−2and initial H2O2 concentrations of about or greater than 23 mg l−1. However, the combined AOP–BAC treatment showed significant reductions of 43%, 52%, and 59% relative to untreated raw water for DBPs, TOC, and UV254, respectively. 相似文献
This paper is devoted to the numerical and experimental investigation of hydrogen self-ignition as a result of the formation of a primary shock wave in front of a cold expanding hydrogen gas jet. Temperature increase, as a result of this shock wave, leads to the ignition of the hydrogen–air mixture formed on the contact surface. The required condition for hydrogen self-ignition is to maintain the high temperature in the area for a time long enough for hydrogen and air to mix and inflammation to take place.
Calculations of the self-ignition of a hydrogen jet are based on a physicochemical model involving the gas-dynamic transport of a viscous gas, the kinetics of hydrogen oxidation, the multi-component diffusion, and the heat exchange. We found that the reservoir pressure range, when a shock wave formed in the air during depressurization, has sufficient intensity to produce self-ignition of the hydrogen–air mixture formed at the front of a jet of compressed hydrogen. We present an analysis of the initial conditions (the hydrogen pressure inside the vessel, the temperature of the compressed hydrogen and the surrounding air, and the diameter of the hole through which the jet was emitted), which leads to combustion. 相似文献
Amides, a series of significant atmospheric nitrogen-containing volatile organic compounds (VOCs), can participate in new particle formation (NPF) throught interacting with sulfuric acid (SA) and organic acids. In this study, we investigated the molecular interactions of formamide (FA), acetamide (AA), N-methylformamide (MF), propanamide (PA), N-methylacetamide (MA), and N,N-dimethylformamide (DMF) with SA, acetic acid (HAC), propanoic acid (PAC), oxalic acid (OA), and malonic acid (MOA). Global minimum of clusters were obtained through the association of the artificial bee colony (ABC) algorithm and density functional theory (DFT) calculations. The conformational analysis, thermochemical analysis, frequency analysis, and topological analysis were conducted to determine the interactions of hydrogen-bonded molecular clusters. The heterodimers formed a hepta or octa membered ring through four different types of hydrogen bonds, and the strength of the bonds are ranked in the following order: SOH???O > COH???O > NH???O > CH???O. We also evaluated the stability of the clusters and found that the stabilization effect of amides with SA is weaker than that of amines with SA but stronger than that of ammonia (NH3) with SA in the dimer formation of nucleation process. Additionally, the nucleation capacity of SA with amides is greater than that of organic acids with amides. 相似文献
This paper presents an experimental study on employing a pellet form of catalyst in photo-reduction of carbon dioxide with water. Water was first absorbed into titania pellets. Highly purified carbon dioxide gas was then discharged into a reactor containing the wet pellets, which were then illuminated continuously for 65 hours using UVC lamps. Analysing the products accumulated in the reactor confirmed that methane and hydrogen were produced through photo-reduction of carbon dioxide with water. No other hydrocarbons were detected. Increasing the temperature in the reactor has showed little change on the amount of methane produced. 相似文献