Uncertainty quantification via bayesian inference using sequential monte carlo methods for CO2 adsorption process

This work presents the uncertainty quantification, which includes parametric inference along with uncertainty propagation, for CO₂ adsorption in a hollow fiber sorbent, a complex dynamic chemical process. Parametric inference via Bayesian approach is performed using Sequential Monte Carlo, a completely parallel algorithm, and the predictions are obtained by propagating the posterior distribution through the model. The presence of residual variability in the observed data and model inadequacy often present a significant challenge in performing the parametric inference. In this work, residual variability in the observed data is handled by three different approaches: (a) by performing inference with isolated data sets, (b) by increasing the uncertainty in model parameters, and finally, (c) by using a model discrepancy term to account for the uncertainty. The pros and cons of each of the three approaches are illustrated along with the predicted distributions of CO₂ breakthrough capacity for a scaled‐up process. © 2016 American Institute of Chemical Engineers AIChE J, 62: 3352–3368, 2016     

Mechanism of Catalytic Effects on AMMO/HMX Composite Propellants Combustion Rates

Thermal decomposition and the burning properties of AMMO/HMX propellants have been investigated. The heat generated by the AMMO decomposition initiated and accelerated the thermal decomposition of HMX, and the reaction between decomposed AMMO and HMX depended upon the heating rate. The rate determining step of the reaction path was different in higher and lower heating rate conditions. 2,2-bis(ethylferrocenyl)propane (CFe) and copper chromite (CuC) significantly altered the mechanisms of the thermal decomposition and the burning properties. CFe showed an increase in burning rate with a slight increase in burning rate exponent. However, CuC yielded high values for the burning rate exponent. The combined additive yielded the highest burning rate with the lowest burning rate exponent. The influence of CuC on the burning rate exponent disappeared by the combination with CFe. Though CFe and the combination additive improved the ignitability of the propellants, the propellant with CuC was difficult to ignite because of the relatively small quantity of heat feedback and/or heat released by the decomposition.     

High temperature catalytic combustion of methane and propane over hexaaluminate catalysts: NOx emission characteristics

Several hexaaluminate-related materials were prepared via hydrolysis of alkoxide and powder mixing method for high temperature combustion of CH₄ and C₃H₈, in order to investigate the effect of the concentration of the fuels, O₂ and H₂O on NO_x emission and combustion characteristics. Among the hexaaluminate catalysts, Sr_0.8La_0.2MnAl₁₁O₁₉₋ prepared by the alkoxide method exhibited the highest activity for methane combustion and low NO_x emission capability. NO_x emission at 1500 °C was increased linearly with O₂ concentration, whereas water vapor addition decreased NO_x emission in CH₄ combustion over the Sr_0.8La_0.2MnAl₁₁O₁₉₋ catalyst. In the catalytic combustion of C₃H₈ over the Sr_0.8La_0.2MnAl₁₁O₁₉₋ catalyst, the amount of NO_x emitted was raised in the temperature range between 1000 and 1500 °C when the C₃H₈ concentration increased from 1 to 2 vol.%. It was found that NO_x emission in this temperature range was reduced effectively by adding water vapor.     

Chemical‐Free Approach for Z‐Isomerization of Lycopene in Tomato Powder: Hot Air and Superheated Steam Heating above the Melting Point of Lycopene

Z‐isomers of lycopene exhibit higher bioavailability and antioxidant capacity than those of the all‐E‐isomer. Therefore, it is important to develop an efficient and environmentally friendly procedure for Z‐isomerization. The current methods for Z‐isomerization of (all‐E)‐lycopene use toxic chemicals such as organic solvents and catalysts. This study is aimed to develop a chemical‐free method for Z‐isomerization of (all‐E)‐lycopene in tomato powder by hot air and superheated steam heating. The Z‐isomerization reaction is promoted by heating above the melting point of lycopene. When heated with superheated steam, the thermal decomposition of lycopene is suppressed compared to that when heated with hot air. When tomato powder is heated at 240 °C for 5 min by superheated steam, the total Z‐isomer content and remaining lycopene are 69.0% and 90.7%, respectively, while with hot air heating, the total Z‐isomer content and remaining lycopene are 69.9% and 68.0%, respectively. These results indicate that the thermal Z‐isomerization of lycopene occurs in the molten state and heating in a low oxygen atmosphere suppresses the thermal decomposition of lycopene. Practical Applications: Tomato powder rich in lycopene Z‐isomers is an important ingredient for the food and animal feed industries. Since Z‐isomers of lycopene are more soluble in solvents including ethanol which is a low‐toxicity and environmentally friendly solvent, the efficiency of lycopene extraction with ethanol can be improved by using the Z‐isomer‐rich tomato powder as a raw material. The obtained Z‐isomer‐rich extract has a high added value because the Z‐isomers have higher bioavailability and antioxidant capacity than those of the all‐E‐isomer. In addition, since lycopene Z‐isomers exhibit higher accumulation efficiency and better color improvement in hen egg yolks than those of the all‐E‐isomer, Z‐isomer‐rich tomato powder is an effective animal feed.     

Long Crack R-Curve of Aligned Porous Silicon Nitride

Long crack R -curve of a porous Si₃N₄ with aligned fibrous grains was investigated, using a chevron-notched beam technique. A crack was constrained to propagate normal to the grain alignment. The crack growth resistance of aligned porous Si₃N₄ was much larger compared with that of dense Si₃N₄ ceramics. Microstructure observations showed that pullouts of fibrous grains in aligned porous Si₃N₄ markedly increased during crack propagation relative to those of dense Si₃N₄, due to the existence of pores. The efficient grain pullouts in porous Si₃N₄ increased the bridging stress at the crack wake.     

Effects of growth temperature on the fatty acid composition of the free-living nematodeCaenorhabditis elegans

The effects of growth temperature on the fatty acid compositions of the phosphatidylcholine (PC), phosphatidylethanolamine (PE), and total lipid (TL) fractions of the free-living nematodeCaenorhabditis elegans were investigated. A reduction in growth temperature from 25 to 15°C caused the proportions of eicosapentaenoic acid (20∶5n-3) to increase from 23.6 to 32.5% in the PC, from 7.4 to 10.8% in the PE, and from 12.9 to 19.9% in the TL fractions. Conversely, the levels of dihomo-γ-linolenic acid (20∶3n-6) and arachidonic acid (20∶4n-6) in these phospholipid fractions and the TL fraction both decreased with decreasing growth temperature. Analysis of the positional distribution of fatty acids in the PC fraction revealed that the change in the composition of C₂₀ polyunsaturated fatty acid was obvious in positionsn-2. Lowering the growth temperature induced an increase in the level of the diacyl subclass of PE from 58% at 25°C to 71% at 15°C, with a concomitant decrease in the levels of the alkylacyl and alkenylacyl subclass of PE ofC. elegans. These changes observed in the phospholipids ofC. elegans might be one mechanism for adaptation to low temperature. Lipids 31, 1173–1178 (1996).     

Internal-external transition for the oxidation of Fe-Cr-Ni austenitic stainless steels in steam

Several Fe-Cr-Ni austenitic stainless steels (Cr wt.%: 13–25, Ni wt.%: 15) were oxidized in steam for 1000 hr at 500–900°C. The oxide scales were examined and categorized with respect to the chromium concentration and the grain size of the base metal. Experiments showed three conditions for the critical bulk Cr concentration and the oxidation temperature at which the oxidation behavior changed drastically. Metallographic examination showed that two of these three conditions resulted from the internal-external transition of Cr₂O₃ either on the metal surface or along the grain boundaries of the base metal. Attempts were made to interpret these conditions from the available oxidation theories. Atkinson's treatment was employed with some modification to incorporate the grain-boundary diffusion of Cr in the base metal. The calculation basically explained the internal-external transition for the oxidation of these steels.     

超声波探头位置对Al-5.7%Cu铸锭凝固组织的影响

研究了超声波探头位置变化对Al-5.7%Cu合金铸锭凝固组织的影响,考察了探头水平位置变化对等轴晶占有率的影响,探讨了超声波作用下晶粒细化机理。结果表明:当探头浸入深度相同且位于铸型中心线时,得到的细等轴晶区最大,且呈对称分布;当探头的位置贴近铸型壁时,细等轴晶区向探头端面附近集中并缩减,柱状晶区进一步扩大。超声波的细化效果来自于声空化造成微区瞬时过冷,以及动态形核;而声流造成凝固的枝晶破碎,提供结晶核心。