Hydrogen production from thermal decomposition of ammonia-contaminated acid gas using a detailed reaction mechanism

The increase in the production of acid gas consisting of H₂S, CO₂, and associated impurities such as ammonia and hydrocarbons from oil and gas plants and gasification facilities has stimulated the interest in the development of alternative means of acid gas utilization to produce hydrogen and sulfur, simultaneously. The present literature lacks a detailed reaction mechanism that can reliably predict the thermal destruction of NH₃ and its blend with H₂S and CO₂ to facilitate process optimization and commercialization. In this paper, a detailed mechanism of NH₃ pyrolysis is developed and is merged with the reactions of NH₃ oxidation and H₂S/CO₂ thermal decomposition from our previous works. The mechanism is validated successfully using different sets of experimental data on the pyrolysis and oxidation of NH₃, H₂S, and CO₂. The proposed mechanism predicts the experimental data on NH₃ pyrolysis remarkably better than the existing mechanisms in the literature. The mechanism is used to investigate the effects of NH₃ concentration (0–20%) and reactor temperature (1000–1800 K) on the thermal decomposition of H₂S and CO₂. A synergistic effect is observed in the simultaneous decomposition of NH₃ and CO₂, i.e., NH₃ conversion is improved in the presence of CO₂ and the decomposition CO₂ to CO is enhanced in the presence of NH₃. The presence of H₂S suppressed NH₃ conversion, while the conversion of H₂S remained unchanged with increasing NH₃ concentration at temperature below 1400 K due to the low conversion of NH₃ (up to 18%). At temperature above 1400 K, NH₃ conversion increased rapidly and it triggered a decrease in H₂S conversion as well as the yields of H₂ and S₂. The major reactions involved in the decomposition of H₂S, CO₂, and NH₃ and the production of major products such as H₂, S₂, and CO are identified. The detailed reaction mechanism can facilitate the design and optimization of acid gas thermal decomposition to produce hydrogen and sulfur, simultaneously.     

A web-based software tool for participatory optimization of conservation practices in watersheds

WRESTORE (Watershed Restoration Using Spatio-Temporal Optimization of Resources) is a web-based, participatory planning tool that can be used to engage with watershed stakeholder communities, and involve them in using science-based, human-guided, interactive simulation–optimization methods for designing potential conservation practices on their landscape. The underlying optimization algorithms, process simulation models, and interfaces allow users to not only spatially optimize the locations and types of new conservation practices based on quantifiable goals estimated by the dynamic simulation models, but also to include their personal subjective and/or unquantifiable criteria in the location and design of these practices. In this paper, we describe the software, interfaces, and architecture of WRESTORE, provide scenarios for implementing the WRESTORE tool in a watershed community's planning process, and discuss considerations for future developments.     

Experimental optimization of power-function-shaped drive pulse for stick-slip piezo actuators

Motion of a stick-slip piezo actuator is generally controlled by the parameters related to its mechanical design and characteristics of the driving pulses applied to piezoceramic shear plates. The goal of the proposed optimization method is to find the driving pulse parameters leading to the fastest and the most reliable actuator operation. In the paper the method is tested on a rotary stick-slip piezo actuating system utilized in an atomic force microscope.The optimization is based on the measurement of the actuator response to driving pulses of different shapes and repetition frequencies at various load forces. To provide it, a computer controlled testing system generating the driving pulses, and detecting and recording the corresponding angular motion response of the actuator by a position sensitive photo detector (PSPD) in real time has been developed. To better understand and interpret the experimental results, supportive methods based on a simple analytical model and numerical simulations were used as well.In this way the shapes of the single driving pulses and values of the load force providing the biggest actuator steps were determined. Generally, the maximal steps were achieved for such a combination of the pulse shapes and load forces providing high velocities at the end of the sticking mode of the actuator motion and, at the same time, lower decelerations during the slipping mode.As for the multiple driving pulses, the pulse shapes and values of repetition frequency ensuring the sticking mode of the actuator motion during the pulse rise time together with the maximum average angular rotor velocity were specified. In this way the effective and stable operation conditions of the actuator were provided.In principle, the presented method can be applied for the testing and optimization of any linear or angular stick-slip actuator.     

Analysis of nitrogen oxide emissions from modern vehicles using hydrogen or other natural and synthetic fuels in combustion chamber

The paper presents a calculated analysis of the equilibrium emission of nitrogen oxides on the exhaust of carburetor and diesel internal combustion engines. The temperature of fuel oxidation is assumed to be 1,400 °C while the pressure for carburetor and diesel engines is assumed to be 60 atm and 80 atm respectively. The studies have been carried out for natural and synthetic fuels such as hydrogen, ethanol, methanol, petroleum, diesel fuel and methane at the excess air coefficient corresponding to the fuel oxidation temperature of 1,400 °C. In the paper, the method for calculating the equilibrium composition based on the equilibrium constant and mass conservation equations has been applied. It is shown that with an increase in pressure from 1 atm to 60 atm for carburetor engines and up to 80 atm for diesel engines, the reaction of nitrogen dioxide formation may shift towards an increase in NO₂. The formation of NO may be not affected by the increase in pressure by virtue of the fact that the reaction proceeds without changes in the amount. It has been determined that NO is the major atmospheric pollutant. However, it would be advisable to use more extensively the fuels characterized by the lowest output of nitrogen dioxide (methane and methanol), since nitrogen dioxide (NO₂) related to the 2nd hazard class is appeared to be the most dangerous to humans. It has been revealed that the reduction in oxidation temperature using hydrogen as a fuel for electrochemical current generators may allow reducing nitrogen oxide emissions by more than an order of magnitude as compared to the best results for ICE.     

Numerical investigation of a multichannel reactor for syngas production by methanol steam reforming at various operating conditions

A novel multichannel reactor with a bifurcation inlet manifold, a rectangular outlet manifold, and sixteen parallel minichannels with commercial CuO/ZnO/Al₂O₃ catalyst for methanol steam reforming was numerically investigated in this paper. A three-dimensional numerical model was established to study the heat and mass transfer characteristics as well as the chemical reaction rates. The numerical model adopted the triple rate kinetic model of methanol steam reforming which can accurately calculate the consumption and generation of each species in the reactor. The effects of steam to carbon molar ratio, weight hourly space velocity, operating temperature and catalyst layer thickness on the methanol steam reforming performance were evaluated and discussed. The distributions of temperature, velocity, species concentration, and reaction rates in the reactor were obtained and analyzed to explain the mechanisms of different effects. It is suggested that the operating temperature of 548 K, steam to carbon ratio of 1.3, and weight hourly space velocity of 0.67 h⁻¹ are recommended operating conditions for methanol steam reforming by the novel multichannel reactor with catalyst fully packed in the parallel minichannels.     

优化军工科研项目管理的具体策略

我国的军工科研所成立于上世纪，它以军工项目的科研、预研为主，为我国的国防军工提供研发产品。伴随着我国经济实力的增强和科技军事力量的增长，军工科研院所也转变了原有的工业专属性质，走上了军民两用、寓军于民的道路，并在时代的进步中成为了我国先进装备制造业的重要科研力量和科技创新支柱。凸现军事工业“高、精、尖”的特点，以项目管理的优化为具体策略进行军工科研开发工作。     

The robust knapsack problem with queries

We consider robust knapsack problems where item weights are uncertain. We are allowed to query an item to find its exact weight,where the number of such queries is bounded by a given parameter Q. After these queries are made, we need to pack the items robustly, i.e., so that the choice of items is feasible for every remaining possible scenario of item weights.The central question that we consider is: Which items should be queried in order to gain maximum profit? We introduce the notion of query competitiveness for strict robustness to evaluate the quality of an algorithm for this problem, and obtain lower and upper bounds on this competitiveness for interval-based uncertainty. Similar to the study of online algorithms, we study the competitiveness under different frameworks, namely we analyze the worst-case query competitiveness for deterministic algorithms, the expected query competitiveness for randomized algorithms and the average case competitiveness for known distributions of the uncertain input data. We derive theoretical bounds for these different frameworks and evaluate them experimentally. We also extend this approach to Γ-restricted uncertainties introduced by Bertsimas and Sim.Furthermore, we present heuristic algorithms for the problem. In computational experiments considering both the interval-based and the Γ-restricted uncertainty, we evaluate their empirical performance. While the usage of a Γ-restricted uncertainty improves the nominal performance of a solution (as expected), we find that the query competitiveness gets worse.     

Collapse load of composite laminates: Lower bound evaluation by stress field analytical approximation

The paper proposes a limit analysis approach to define the ultimate load capacity of orthotropic composite laminates under biaxial loading and plane stress conditions. A lower bound to the collapse load multiplier is computed by solving a maximization nonlinear problem, according to the static theorem of limit analysis. To set up the optimization problem a stress field distribution is hypothesized at lamina level, moreover inter-lamina stresses are also considered. The effectiveness and validity of the proposed approach is shown by comparing the obtained numerical predictions both with available experimental data and with other numerical results carried out by means of a different numerical lower bound approach.     

The effect of growth conditions,point defects and hydrogen on the electronic structure and properties of p-type (Al,N) codoped ZnO: A first principles study

The effects of point defects, hydrogen, and growth conditions on the electronic structure and properties of the (Al,N) codoped p-type ZnO have been investigated using the first principles method. The obtained results showed that the Al_Zn–N_O–V_Zn complex is a shallow acceptor that can play an important role in achieving the p-type conductivity in the (Al,N) codoped ZnO films. Our results showed also that the electrical conductivity type in the (Al,N) codoped ZnO films strongly depends on the donor/acceptor concentrations ratio. The codoped ZnO films prepared under both Zn-rich and O-rich growth conditions with a donors/acceptors ratio of 1:2 have a p-type conductivity, while those prepared with a ratio of 1:1 cannot be p-type unless if they are prepared under O-rich conditions. The achieved p-type quality depends also on the used nitrogen doping source. To prepare p-type ZnO film of high quality using the (Al,N) codoping method, the use of NO or NO₂ is recommended. The presence of donor defects such as oxygen vacancies and hydrogen will significantly affect the electronic properties of the (Al,N) codoped ZnO films, and if the concentration of these defects in the sample is high enough, the material can be easily converted to n-type.