Real-time molecular characterization of air pollutants in a Hong Kong residence: Implication of indoor source emissions and heterogeneous chemistry

Due to the high health risks associated with indoor air pollutants and long-term exposure, indoor air quality has received increasing attention. In this study, we put emphasis on the molecular composition, source emissions, and chemical aging of air pollutants in a residence with designed activities mimicking ordinary Hong Kong homes. More than 150 air pollutants were detected at molecular level, 87 of which were quantified at a time resolution of not less than 1 hour. The indoor-to-outdoor ratios were higher than 1 for most of the primary air pollutants, due to emissions of indoor activities and indoor backgrounds (especially for aldehydes). In contrast, many secondary air pollutants exhibited higher concentrations in outdoor air. Painting ranked first in aldehyde emissions, which also caused great enhancement of aromatics. Incense burning had the highest emissions of particle-phase organics, with vanillic acid and syringic acid as markers. The other noteworthy fingerprints enabled by online measurements included linoleic acid, cholesterol, and oleic acid for cooking, 2,5-dimethylfuran, stigmasterol, iso-/anteiso-alkanes, and fructose isomers for smoking, C₂₈-C₃₄ even n-alkanes for candle burning, and monoterpenes for the use of air freshener, cleaning agents, and camphor oil. We showed clear evidence of chemical aging of cooking emissions, giving a hint of indoor heterogeneous chemistry. This study highlights the value of organic molecules measured at high time resolutions in enhancing our knowledge on indoor air quality.     

Titanium-doped Boron Nitride Fullerenes as Novel Single-atom Catalysts for CO Oxidation

Catalysis Letters - Inspired by the discovery of the special structures of Ti-doped boron nitride fullerenes [(2019) Nat Commun 10: 4908], we herein present a computational investigation of...     

Performance investigation on a novel 3D wave flow channel design for PEMFC

Flow field structure can largely determine the output performance of Polymer electrolyte membrane fuel cell. Excellent channel configuration accelerates electrochemical reactions in the catalytic layer, effectively avoiding flooding on the cathode side. In present study, a three-dimensional, multi-phase model of PEMFC with a 3D wave flow channel is established. CFD method is applied to optimize the geometry constructions of three-dimensional wave flow channels. The results reveal that 3D wave flow channel is overall better than straight channel in promoting reactant gases transport, removing liquid water accumulated in microporous layer and avoiding thermal stress concentration in the membrane. Moreover, results show the optimal flow channel minimum depth and wave length of the 3D wave flow channel are 0.45 mm and 2 mm, respectively. Due to the periodic geometric characteristics of the wave channel, the convective mass transfer is introduced, improving gas flow rate in through-plane direction. Furthermore, when the cell output voltage is 0.4 V, the current density in the novel channel is 23.8% higher than that of conventional channel.     

Evaluation of the degree of rate control via automatic differentiation

The degree of rate control (DRC) quantitatively identifies the kinetically relevant (sometimes known as rate-limiting) steps of a complex reaction network. This concept relies on derivatives which are commonly implemented numerically, for example, with finite differences (FDs). Numerical derivatives are tedious to implement, and can be problematic, and unstable or unreliable. In this study, we demonstrate the use of automatic differentiation (AD) in the evaluation of the DRC. AD libraries are increasingly available through modern machine learning frameworks. Compared with the FDs, AD provides solutions with higher accuracy with lower computational cost. We demonstrate applications in steady-state and transient kinetics. Furthermore, we illustrate a hybrid local-global sensitivity analysis method, the distributed evaluation of local sensitivity analysis, to assess the importance of kinetic parameters over an uncertain space. This method also benefits from AD to obtain high-quality results efficiently.     

Flame characteristics of premixed H2-air mixtures explosion venting in a spherical container through a duct

The explosion venting duct can effectively reduce the hazard degree of a gas explosion and conduct the venting energy to the safe area. To investigate the flame quantitative propagation law of explosion venting with a duct, the effects of hydrogen fraction and explosion venting duct length on jet flame propagation characteristics of premixed H₂-air mixtures were analyzed through experiment and simulation. The experiment results under initial conditions of room temperature and 1 atm show that when hydrogen fraction was high enough, part of the unburned hydrogen was mixed with air again to reach an ignitable concentration, resulting in the secondary combustion was easier produced and the duration of the secondary flame increased. With the increase of venting duct length, the flame front distance and propagation velocity increased. Meanwhile, the spatial distribution of pressure field and temperature field, and the propagation process and mechanism of the flame venting with a duct were analyzed using FLUENT software. The variation of the pressure wave and the pressure reflection oscillation law in the explosion venting duct was captured. Therefore, in the industrial explosion venting design with a duct, the hazard caused by the coupling of venting pressure and venting flame under different fractions should be considered comprehensively.     

Rapid screening of DON contamination in whole wheat meals by Vis/NIR spectroscopy and computer vision coupling technology

This work intends to develop an online experimental system for screening of deoxynivalenol (DON) contamination in whole wheat meals by visible/near-infrared (Vis/NIR) spectroscopy and computer vision coupling technology. Spectral and image information of samples with various DON levels was collected at speed of 0.15 m s⁻¹ on a conveyor belt. The two-type data were then integrated and subjected to chemometric analysis. Discriminant analysis showed that samples could be classified by setting 1000 μg kg⁻¹ as the cut-off value. The best correct classified rate obtained in prediction was 93.55% based on fusion of spectral and image features, with reduced prediction uncertainty as compared to single feature. However, quantification of DON by quantitative analysis was not successful due to poor model performance. These results indicate that, although not accurate enough to provide conclusive result, this coupling technology could be adopted for rapid screening of DON contamination in cereals and feeds during processing.     

Use of heat-moisture treated maize starch to modify the properties of wheat flour and the quality of noodles

Waxy, normal and high-amylose maize starches were subjected to heat-moisture treatment (HMT) and then added to wheat flour (WF) in different ratios (1%, 5% and 10%). The properties of blends and their cooked noodles were studied to investigate the effects of HMT starches. The incorporation of HMT starch in WF led to an increase in swelling power, peak viscosity and breakdown and to a decrease in setback, thus inhibiting retrogradation, hence enhancing resultant noodle softness. Compared to the same addition ratio of native starch to WF, HMT starch led to higher tensile strength and extensibility in resultant noodles. WF with added HMT starch had higher resistant starch than with native starch. This study showed that addition of HMT maize starch has potential to bring nutritional benefits. However, it is necessary to select the proper blending ratio and amylose content of starch to add, in consideration of its effect on noodle quality.     

Fluoride-mediately solvothermal synthesis and tunable photocatalytic selectivity of urchin-like ZrO2 hollow microspheres

Photocatalysts often show excellent performances on the basis of their surface state of exposed faces with high reactivity, but unfortunately surfaces of this type are usually concealed into the interior of crystals for their high surface energy. We report here a possibility that for fluorine-terminated surfaces of monoclinic ZrO₂, these higher-energy surfaces could be retained and exposed. Urchin-like ZrO₂ hollow microspheres (UZHS) composed of nanoribbons with exposed (010) facets are obtained through a fluoride mediately solvothermal method. We prove the stabilization effect of fluorine adsorption on (010) facets by density functional theory calculations. More interestingly, UZHS exhibit tunable photocatalytic selectivity in dye degradation. The fluorinated UZHS exhibit good performances both on decomposing Congo red (CR) and methylene blue, while the surface-modified UZHS by calcination only favor decomposition of CR.