Mass Spectrometry Analysis of NMC622/Graphite Li-Ion Cells Electrolyte Degradation Products after Storage and Cycling

With the aim of establishing a data simultaneous comparison, the Principal Component Analysis (PCA) statistical tool was applied to LiNi0.6Mn0.2Co0.2O2/graphite Li-ion cells electrolyte’s decomposition products detected by UHPLC-ESI-HRMS. Herein, we illustrate how the chemometric tool associated with mass spectrometry data can be relevant to provide information about the presence of unusual molecules. Indeed, pristine Triton X-100 surfactant molecules used in electrode elaboration process were detected after impregnation stage. However, as they chemically react and oxidize at a potential lower than 4.5V vs. Li/Li+, only surfactant derivatives and classical ageing molecules were observed, respectively, after storage and cycling stages at 55°C, leading to a triangle-type correlation circle. On the other hand, global schemes of LiPF6-based electrolyte degradation pathways were elaborated from a comparative study with literature to help interpret results in future electrolyte ageing studies.

Synthesis of quantum circuits based on incompletely specified functions and if-decision diagrams

The problem of synthesis and optimisation of logical reversible and quantum circuits from functional descriptions represented as decision diagrams is considered. It is one of the key problems being solved with the aim of creating quantum computing technology and quantum computers. A new method of stepwise transformation of the initial functional specification to a quantum circuit is proposed, which provides for the following project states: reduced ordered binary decision diagram, if-decision diagram, functional if-decision diagram, reversible circuit and quantum circuit. The novelty of the method consists in extending the Shannon and Davio expansions of a Boolean function on a single variable to the expansions of the same Boolean function on another function with obtaining decomposition products that are represented by incompletely defined Boolean functions. Uncertainty in the decomposition products gives remarkable opportunities for minimising the graph representation of the specified function. Instead of two outgoing branches of the binary diagram vertex, three outgoing branches of the if-diagram vertex are generated, which increase the level of parallelism in reversible and quantum circuits. For each transformation step, appropriate mapping rules are proposed that reduce the number of lines, gates and the depth of the reversible and quantum circuit. The comparison of new results with the results given by the known method of mapping the vertices of binary decision diagram into cascades of reversible and quantum gates shows a significant improvement in the quality of quantum circuits that are synthesised by the proposed method.

Comparative Toxicological Evaluation of Tattoo Inks on Two Model Organisms

Tattooing is a technique that introduces colored substances under the skin in order to color it permanently. Decomposition products of tattoo pigments produce numerous damages for the skin and other organs. We studied the effects of a commercial red ink tattoo, PR170, on Xenopus laevis embryos and Daphnia magna nauplii using concentrations of 10, 20, and 40 mg/L. For Xenopus, we applied the FETAX protocol analyzing survival, malformations, growth, heart rate, and the expression of genes involved in the development. In D. magna, we evaluated the toxicity with an immobilization test. Moreover, we investigated the production of ROS, antioxidant enzymes, and the expression of the ATP-binding cassette in both models. Our results indicate that PR170 pigment has nanoparticle dimensions, modifies the survival and the ATP-binding cassette activity, and induces oxidative stress that probably produces the observed effects in both models. Deformed embryos were observed in Xenopus, probably due to the modification of expression of genes involved in development. The expression of pro-inflammatory cytokines was also modified in this amphibian. We think that these effects are due to the accumulation of PR170 and, in particular, to the presence of the azoic group in the chemical structure of this pigment. Further studies needed to better understand the effects of commercial tattoo inks.

Thermal behavior of Sr-form of gordaite

Cation-exchanged Sr-form of gordaite was successfully obtained from Ca-form of gordaite by an ion-exchange reaction. Data of XRD, SEM-EDS and DTA-TG-MS were used to characterize the Sr-form. Thermal decomposition of Sr-gordaite was studied for the first time in regards of thermal events and mass loss during volatile releasing. It was found similarity with Sr-gordaite and Ca-gordaite in terms of processes, type, and amount of volatiles released, but also some differences were found concerning the temperature correspondence of the volatiles evolving and the type of thermal decomposition products. The influence of the exchangeable cations (Na, Ca, or Sr) on the dehydration of the interlayer in the gordaite type structure were also established.

[NiEn3](MoO4)0.5(WO4)0.5 Co-Crystals as Single-Source Precursors for Ternary Refractory Ni–Mo–W Alloys

The co-crystallisation of [NiEn3](NO3)2 (En = ethylenediamine) with Na2MoO4 and Na2WO4 from a water solution results in the formation of [NiEn3](MoO4)0.5(WO4)0.5 co-crystals. According to the X-ray diffraction analysis of eight single crystals, the parameters of the hexagonal unit cell (space group P–31c, Z = 2) vary in the following intervals: a = 9.2332(3)–9.2566(6); c = 9.9512(12)–9.9753(7) Å with the Mo/W ratio changing from 0.513(3)/0.487(3) to 0.078(4)/0.895(9). The thermal decomposition of [NiEn3](MoO4)0.5(WO4)0.5 individual crystals obtained by co-crystallisation was performed in He and H2 atmospheres. The ex situ X-ray study of thermal decomposition products shows the formation of nanocrystalline refractory alloys and carbide composites containing ternary Ni–Mo–W phases. The formation of carbon–nitride phases at certain stages of heating up to 1000 °C were shown.

Decomposition characteristics of SF6/N2 gas mixture with local overheating

In recent years, Chinese power enterprises have adopted SF6/N2 to replace SF6 gas in transmission electrical equipment. In this paper, an experimental platform was set up to simulate the local overheating fault of gas insulated electrical equipment. The relationship between the decomposition products of SF6/N2 gas and temperature, experimental time, gas pressure and SF6 content was studied. The results showed that the main products of SF6/N2 gas decomposition were SO2, SO2F2, N2O, C2F6, COS, CS2 and CF4. The content of SO2 increased nonlinearly with the increase of temperature, experimental time, gas pressure and SF6 content. However, the contents of SO2F2, N2O, C2F6, COS, CS2 and CF4 decreased first and remained unchanged with the increase of gas pressure, and increased with the increase of temperature, experimental time and SF6 content. And C element in metal also affected the type and quantity of gas products.

The Composition of Saturated Vapor over 1-Butyl-3-methylimidazolium Tetrafluoroborate Ionic Liquid: A Multi-Technique Study of the Vaporization Process

A multi-technique approach based on Knudsen effusion mass spectrometry, gas phase chromatography, mass spectrometry, NMR and IR spectroscopy, thermal analysis, and quantum-chemical calculations was used to study the evaporation of 1-butyl-3-methylimidazolium tetrafluoroborate (BMImBF4). The saturated vapor over BMImBF4 was shown to have a complex composition which consisted of the neutral ion pairs (NIPs) [BMIm+][BF4−], imidazole-2-ylidene C8N2H14BF3, 1-methylimidazole C4N2H6, 1-butene C4H8, hydrogen fluoride HF, and boron trifluoride BF3. The vapor composition strongly depends on the evaporation conditions, shifting from congruent evaporation in the form of NIP under Langmuir conditions (open surface) to primary evaporation in the form of decomposition products under equilibrium conditions (Knudsen cell). Decomposition into imidazole-2-ylidene and HF is preferred. The vapor composition of BMImBF4 is temperature-depended as well: the fraction ratio of [BMIm+][BF4−] NIPs to decomposition products decreased by about a factor of three in the temperature range from 450 K to 510 K.

Passive Vaping from Sub-Ohm Electronic Cigarette Devices

To investigate passive vaping due to sub-ohm electronic cigarettes (e-cigs), aerosol number size distribution measurements (6 nm–10 µm) were performed during volunteer-vaping sessions. E-liquids, with vegetable glycerin (VG) and propylene glycol (PG), with a VG/PG ratio of 50/50 (with nicotine) and 80/20 (without nicotine), were vaped with a double-coil, single aerosol exit hole at 25–80 W electric power, corresponding to 130–365 kW m−2 heat fluxes and with an octa-coil, four aerosol exit holes atomizers, at 50–150 W electric power, corresponding to 133–398 kW m−2 heat fluxes. At the lowest heat flux, lower particle number concentrations (NTot) were observed for the nicotine-liquid than for the nicotine-free liquid, also due to its higher content of PG, more volatile than VG. For the octa-coil atomizer, at 265 and 398 kW m−2, NTot decreased below the first-generation e-cig, whereas volume concentrations greatly increased, due to the formation of super micron droplets. Higher volume concentrations were observed for the 80/20 VG/PG liquid, because of VG vaporization and of its decomposition products, greater than for PG. For the double coil atomizer, increasing the electric power from 40 W (208 kW m−2) to 80 W (365 kW m−2) possibly led to a critical heat flow condition, causing a reduction of the number concentrations for the VG/PG 50/50 liquid, an increase for the 80/20 VG/PG liquid and a decrease of the volume concentrations for both of them. Coherently, the main mode was at about 0.1 µm on both metrics for both liquids. For the other tests, two main modes (1 and 2 µm) were observed in the volume size distributions, the latter becoming wider at 100 and 150 W (265 and 398 kW m−2), suggesting the increased emission of light condensable decomposition products. The lower aerosol emissions observed at 150 W than at 100 W suggest the formation of gas-phase decomposition products. The observation of low-count high-volume aerosols addresses the relevance of the volume metric upon measuring the second-hand concentration of the aerosols released by sub-ohm e-cigarettes.

Effects of Structural Substituents on the Electrochemical Decomposition of Carbonyl Derivatives and Formation of the Solid–Electrolyte Interphase in Lithium-Ion Batteries

The solid–electrolyte interphase (SEI), the passivation layer formed on anode particles during the initial cycles, affects the performance of lithium-ion batteries (LIBs) in terms of capacity, power output, and cycle life. SEI features are dependent on the electrolyte content, as this complex layer originates from electrolyte decomposition products. Despite a variety of studies devoted to understanding SEI formation, the complexity of this process has caused uncertainty in its chemistry. In order to clarify the role of the substituted functional groups of the SEI-forming compounds in their efficiency and the features of the resulting interphase, the performance of six different carbonyl-based molecules has been investigated by computational modeling and electrochemical experiments with a comparative approach. The performance of the electrolytes and stability of the generated SEI are evaluated in both half-cell and full-cell configurations. Added to the room-temperature studies, the cyclability of the NMC/graphite cells is assessed at elevated temperatures as an intensified aging condition. The results show that structural adjustments within the SEI-forming molecule can ameliorate the cyclability of the electrolyte, leading to a higher capacity retention of the LIB cell, where cinnamoyl chloride is introduced as a novel and more sustainable SEI forming agent with the potential of improving the LIB capacity retention.

Decomposition of asbestos materials using fluoride wastes

Asbestos is one of the materials causing ecological stress. Due to its health harmfulness, an effective, ecological, and economic decomposition is highly desirable. One of the decomposition possibilities is a chemical decomposition, which could compete with commonly used thermal decomposition. The chemical decomposition can be accomplished both with the use of pure chemicals and waste chemicals from production technologies. This work deals with the use of technological wastes containing hydrofluoric acid or fluorides. Fluorides release hydrofluoric acid in the acid medium, which acts as the main decomposition medium. The source of fluorides was waste from the glass and metallic material industry. The efficiency of degradation processes was studied by mass analysis. Materials and decomposition products were characterized by X-ray powder diffraction.