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The effects of low-lying core(30S) and projectile(31Cl) excited states on the full-width half maxima(FWHM) of longitudinal momentum distribution(LMD) of core fragment and single proton breakup cross-section of 12C(31Cl,30S)X breakup reaction at 44 MeV/nucleon beam energy have been analyzed quantitatively for the stripping and diffraction dissociation reaction mechanisms. The calculations are carried out using standard MOMDIS code based on Glauber eikonal approximation. Our analysis shows that the inclusion of core and projectile excitation enhances the LMD width and suppresses the magnitude of the single proton breakup cross-section significantly. Additionally, in comparison with the experimental LMD width, the contribution of s and d-state in admixed sd-state have also been explored. The obtained results are informative for the lucid structural study of the 31Cl nucleus. [ABSTRACT FROM AUTHOR]

Herein we revisit a basic rule for the interpretation of ion chemistry of ionized molecules, first proposed by the pioneers of MS spectra interpretation, but somewhat overlooked over the years. This rule states that, when rationalizing or predicting the dissociation chemistry of an ionized molecule (M+.), a model analog to the "mobile proton model," that is, a "mobile electron model" via "e‐‐jumping" should be considered. Ground‐state M+. is indeed the first species to be considered, but "e‐‐jumping" may eventually lead to other more energetic electromers—ionized molecules that differ only in the location of the missing electron—and each one of these electromers may dissociate via distinctive routes. In such a scenario, the route involving not necessarily the ground‐state M+., but the most labile electromer could become predominant or even exclusive. We argue that this "most labile electromer" rule, as well as an analogous "most labile protomer" rule that we have proposed for protonated molecules in an accompanying article, with the application of our conventional toolbox of a few cleavages and rearrangements, greatly simplifies the interpretation and prediction of ion chemistry. [ABSTRACT FROM AUTHOR]

The possibility of determining alunite by the derivatographic method according to the area of desulphurization endoeffect on the DTA curve and corresponding to this effect the weight loss on the TG curve has been investigated. It has been proposed to carry out the determination by the calibration curve constructed for standard samples and their area of endoeffect and by the weight loss depending on the content of alunite in the samples, since the dissociation of sulfur bound from 4500C accompanies the whole process. The analysis of samples should be carried out at an intensity of temperature increase of 100C/min, since at an intensity of 300C/min. the peak area increases significantly, and the indicators are not stable. It has been shown that the analyses in an inert medium lead to a twofold loss of sulphur bound, in contrast to the air medium, before desulphurization till the formation of the endoeffect. [ABSTRACT FROM AUTHOR]

The ionic transport in sub-nanochannels plays a key role in energy storage, yet suffers from a high energy barrier. Wetting sub-nanochannels is crucial to accelerate ionic transport, but the introduction of water is challenging because of the hydrophobic extreme confinement. We propose wetting the channels by the exothermic hydration process of pre-intercalated ions, the effect of which varies distinctly with different ionic hydration structures and energies. Compared to the failed pre-intercalation of SO42-, HSO4 - with weak hydration energy results in a marginal effect on the HOMO (Highest Occupied Molecular Orbital) level of water to avoid water splitting during the electrochemical intercalation. Meanwhile, the ability of water introduction is reserved by the initial incomplete dissociation state of HSO4 -, so the consequent exothermic reionization and hydration processes of the intercalated HSO4 - promote the water introduction into sub-nanochannels, finally forming the stable confined water through hydrogen bonding with functional groups. The wetted channels exhibit a significantly enhanced ionic diffusion coefficient by ~9.4 times. [ABSTRACT FROM AUTHOR]

Unutilized CO2 can be utilized to decompose carbonates at low temperatures through the magnetic field effect so that it can reduce air CO2 gas emissions. This study identifies the optimal parameters required in the carbonate dissociation reaction by considering volume, temperature, electric current, and pressure. Tests were conducted by monitoring hourly pressure and weight changes before and after CO2 injection. The results showed that the optimal carbonate dissociation parameters were volume 50 ml, weight 50.01 g, electric current 15 A, and temperature 90oC with an inlet pressure of 30 psi. Utilization of a magnetic field with a strength of 9 - 10 T resulted in a weight reduction of 8.3 g. The carbonate dissociation reaction under the influence of the magnetic field degraded the elemental levels of C (8%) and O (4%) and increased the elemental level of Ca (31%). CO2 can effectively induce carbonate dissociation when in a magnetic field. [ABSTRACT FROM AUTHOR]

• The role of supported Au and Pd in oxygen activation under irradiation. • Dissociation of O 2 evidenced by NAP-XPS and in-situ spectroscopy. • Both Au and Pd prolong the lifetime of reactive oxygen species. • Au bonds O atom stronger and promotes the selective oxidation. • Pd bonds O atom weaker and promotes the complete oxidation. Activation of molecular oxygen plays an important role in photocatalytic selective oxidation reactions and complete degradation of organic pollutants. Noble metal cocatalysts are often employed to modulate the activation of oxygen to reach an optimum photocatalytic performance. However, the role of the metal nanoparticles (NPs) still remains unclear and deserves investigation for the design of efficient photocatalysts. Here, Au and Pd NPs are deposited on the TiO 2 photocatalyst to study the promotional mechanism of O 2 dissociation with the presence of glycerol under irradiation by near-ambient-pressure photoelectron spectroscopy and in-situ spectrometry approaches. While both Au and Pd NPs can dissociate O 2 into activated oxygen species, a relatively strong bonds of dissociated oxygen atom is observed on Au NPs than on the Pd NPs. This results in a moderate reduction rate of O 2 and eventually favors a mild oxidation reaction process for Au, and a rapid reduction rate of O 2 and eventually a deep oxidation reaction process for Pd, respectively. [Display omitted] [ABSTRACT FROM AUTHOR]

• Pd/CoAl-HTs catalysts show high activity and selectivity in furfural hydrogenation. • Water promotes the hydrogenation of furfural to cyclic compounds. • The interaction between metal and support be tuned by CoAl-HTs microenvironment. • H 2 dissociative and activation ability be adjusted by interlayer anion and spaces. The conversion of biomass-based compounds into highly value-added chemicals has received extensive attention in recent years. This work reports the liquid-phase selective hydrogenation and furan ring-rearrangement of furfural (FFL) into cyclopentanone (CPO) and cyclopentanol (CPL) over Pd/Co 4 Al 1 -HTs catalysts and water as the solvent. The specific reaction rate of the optimal catalyst at 160 °C reaches 538 h–1, and the selectivity of CPO/CPL is 77.5 %. By adopting the ion-exchange and formamide treatment methods, the type of the interlayer anions and interlayer spacing for the CoAl-HTs supports can be regulated, which can affect the state of the supported Pd sites and their catalytic activity and selectivity towards the ring-rearrangement products. Furthermore, the H 2 /D 2 exchange experimental results demonstrate that the presence of the interlayer NO 3 – anions of CoAl-HTs support promotes the activation and dissociation of H 2 , thereby accelerating the hydrogenation of FFL to cyclic compounds. [Display omitted] [ABSTRACT FROM AUTHOR]

• In-situ IR characterization shows more C x H y * species from cracking of butanol while more unsaturated ketones from diethyl ether (DEE). • Reforming of ethanol generates more O-containing species, making coke more aliphatic and thermally unstable. • Reforming of butanol and DEE forms much more coke than from ethanol, due to aggregation of abundant carbonaceous intermediates. • Carbon-rich intermediates from butanol or DEE forms coke of aromatic nature with high crystallinity. • Coke from DEE is more defective with rough surface, while that from butanol is more graphitic with smooth surface. Molecular structures of organics play key roles in determining the tendency of coking and property of coke through governing reaction intermediates formed. Diethyl ether (DEE) can be produced from etherification of ethanol and has same carbon number with n-butanol (butanol), while they may show distinct coking behaviors in steam reforming (SR). Herein, SR of DEE, ethanol and butanol over Ni/SBA-15 catalyst were performed, aiming to probe impacts of ether functionality and length of carbon chain of the alcohols on coke formation. The results indicated that cracking of DEE formed C x H y * species and unsaturated ketone intermediates, serving as precursors of coke. Dissociative adsorption of butanol formed abundant C x H y * species even from 100 °C, due to its longer carbon chain and lower oxygen content. In comparison, abundant oxygen-containing intermediates were generated from degradation of ethanol and reactions with steam. Abundant C x H y * species from DEE and butanol prompted formation of more coke than that from ethanol (60.6 % of coke in the catalyst for DEE, 66.8 % for butanol and 32.9 % for ethanol). Moreover, the coke from SR of ethanol was thermally less stable than that from DEE or butanol, due to the involvement of more oxygen-containing intermediates, which resulted in more aliphatic coke of amorphous form in ethanol reforming. Additionally, the coke from DEE reforming was more defective with carbon nanotube form of thick walls and little internal cavity. The coke produced from butanol reforming was more graphitic and mainly in carbon nanotube form of smooth surface. Varied abundance of C x H y * and ketone species in reforming of DEE and butanol created such a difference. [Display omitted] [ABSTRACT FROM AUTHOR]