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The removal of boron is a very important issue in desalination using seawater reverse osmosis (SWRO). A novel approach using polyol compounds to remove boron is introduced in this study. Polyols are compounds possessing multiple hydroxyl groups and they can combine with uncharged boric acid by generating anionic complexes. As a result, a large molecule is formed and it can be easily rejected by SWRO membrane at seawater pH. Lab-scale SWRO tests were performed to investigate the effect of polyol on the boron removal using different types of polyol (xylitol, glycerol, and D-mannitol). The polyol–boron reaction occurs in seawater condition with low boron concentration and various ion compounds, which leads to two important findings that boron-polyol reaction occurs with low boron and polyol concentrations, and there are no significant inhibitors for the reaction in seawater. The boron-polyol reaction rate is so fast that it can be easily applied to full-scale SWRO processes. The boron removal rate increases at higher polyol concentrations and at larger numbers of hydroxyl groups of polyol. [ABSTRACT FROM AUTHOR]

The aging of explosive charges in pyrotechnic mechanical devices (PMDs) significantly affects the reliability of their performance. Aging decreases the explosive power of explosive charges via pre-oxidation by external sources of oxygen. In this study, the flame temperature was calculated based on the amount of added oxygen source, and the effect of aging was quantified in terms of the performance of explosive charges. Three primary explosive charges (THPP, ZPP, and BKNO3) were selected, and the explosion was assumed to have occurred in a closed adiabatic system. The flame temperature decreased with increasing oxygen addition, suggesting that the aging decreased the pressure exerted by the PMDs. The explosive power decreased in the following order: ZPP >> THPP > BKNO3 (4100 >> 3260 > 3050 K), and it was decreased by aging as follows: ZPP >> BKNO3 > THPP (802 >> 219 > 95 K per mole of added water). As a result, ZPP is appropriate for the generation of the huge thrust of PMDs despite its increased susceptibility to aging, while THPP is superior for reliable PMD performance. [ABSTRACT FROM AUTHOR]

The aging of propellants in PMDs is considered to be one of the primary factors affecting the performance of PMDs. Thus, studies on the aging mechanism of propellants, which have not yet been addressed extensively, pose a solution to securing the sustainable operation of PMDs. We characterized one of the most commonly used commercial propellants (boron potassium nitrate (BKNO3)) and investigated its aging mechanism rigorously. Based on thermal analyses, we demonstrate that the decomposition of laminac, a polymer binder, is the fastest spontaneous reaction. However, it will not self-initiate at a storage temperature as high as 120 °C. The effect of the humidity level was examined by characterizing BKNO3 samples prepared. The heat of reaction and the reaction rate decreased by 18% and 67% over 16 weeks of aging, respectively. This is attributed to the oxide shells on the surface of boron particles. The formation of oxide shells could be confirmed using X-ray photoelectron spectroscopy and transmission electron microscopy-energy dispersive spectroscopy. In conclusion, surface oxide formation with the aging of BKNO3 will decrease its propulsive efficiency; oxidation reduces the potential energy of the system and the resulting oxide decreases the reaction rate. [ABSTRACT FROM AUTHOR]

The (1)H NMR chemical shifts were theoretically computed for the organic dyes 2-(2,6-dimethyl-4H-pyran-4-ylidene)-malononitrile (1), cyano-(2,6-dimethyl-4H-pyran-4-ylidene)-acetic acid methyl ester (2), 2-(2,6-bis(4-(dimethylamino)styryl)-4H-pyran-4-ylidene)-malononitrile (3), and methyl 2-(2,6-bis(4-(dimethylamino)styryl)-4H-pyran-4-ylidene)-2-cyanoacetate (4) at the GIAO/B3LYP/6-311++G(d,p)//B3LYP/6-311++G(d,p) level of theory. Moreover, the intramolecular rotational barriers of the molecules were calculated to evaluate the internal flexibility with respect to the torsional degrees of freedom, and the nuclear-independent chemical shifts (NICS) were employed to analyze the ring currents. The difference was explained in terms of intramolecular hydrogen bonds and ring currents of the molecules. The (1)H NMR spectra were reproduced by experiments for the comparison with computationally constructed data. Our results suggest a good guideline in interpreting (1)H NMR chemical shifts using computational methods and furthermore a reliable perspective for designing molecular structures.