Pressure-Induced Polymerization: Addition and Condensation Reactions

Under pressure of 1–100 GPa, unsaturated organic molecules tend to form covalent bond to each other for a negative enthalpy change, which often produces polymeric materials with extended carbon skeleton. The polymerization reactions typically happen in crystal, which promotes the topochemical process. This review summarized the topochemical polymerization processes of several alkynes, aromatics, and alkynylphenyl compounds, including the critical crystal structures before the reaction, bonding process, and the structure of the products. Secondly, this review also summarized the condensation reaction identified in the polymerization process, including the elimination of small molecules such as NH3, etc.

First-Principles Calculation of Conductivity of Ce-C Codoped SnO2 Contacts

The contact is the core element of the vacuum interrupter of the mechanical DC circuit breaker. The electrical conductivity and welding resistance of the material directly affect its stability and reliability. AgSnO2 contact material has low resistivity, welding resistance, and so on. This material occupies an important position of the circuit breaker contact material. This research is based on the first-principles analysis method of density functional theory. The article calculated the lattice constant, enthalpy change, energy band, electronic density of state, charge density distribution, population, and conductivity of Ce, C single-doped, and Ce-C codoped SnO2 systems. The results show that Ce, C single doping, and Ce-C codoping all increase the cell volume and lattice constant. When the elements are codoped, the enthalpy change is the largest, and the thermal stability is the best. It has the smallest bandgap, the most impurity energy levels, and the least energy required for electronic transitions. The 4f orbital electrons of the Ce atom and the 2p orbital electrons of C are the sources of impurity energy near the Fermi level. When the elements are codoped, more impurity energy levels are generated at the bottom of the conduction band and the top of the valence band. Its bandgap is reduced so conductivity is improved. From the charge density and population analysis, the number of free electrons of Ce atoms and C atoms is redistributed after codoping. It forms a Ce-C covalent bond to further increase the degree of commonality of electrons and enhance the metallicity. The conductivity analysis shows that both single-doped and codoped conductivity have been improved. When the elements are codoped, the conductivity is the largest, and the conductivity is the best.

Thermochemistry

Thermochemistry explores the basic principles of energy changes in chemical reactions. Calorimetry is described as a tool to measure the quantity of heat involved in a chemical or physical change. Quantitative overviews of enthalpy and the stoichiometry of thermochemical equations are provided, including the concepts of endothermic and exothermic reactions. Standard conditions are defined to allow comparison of enthalpies of reactions and determine how the enthalpy change for any reaction can be obtained. Hess"s Law, which allows the enthalpy change of any reaction to be calculated, is discussed with illustrative examples. A presentation of bond energies and bond dissociation enthalpies is offered along with the use of bond enthalpy to estimate heats of reactions.

A Supramolecular Heat-Pump: an Electrochemical Cooling System Utilizing the Enthalpy Change of a Host–Guest Interaction

Redox-stimulated host–guest chemistry was applied for the electrochemical Peltier effect, which is a heat transportation phenomenon observed in redox-active electrolytes. The refrigeration capability was enhanced up to 70%. By the addition of alpha-Cyclodextrin (α-CD) into I−/I3− aqueous solution, the amount of heat transported from the cathode side to the anode side was observed. The enhancement of the heat transportation was derived from the elimination heat of I3− from α-CD associated with the shift of host–guest equilibrium caused by the exhausting of I3− by the reduction. This is the first report that utilized the stimuli-responsive supramolecular interaction for heat transportation.

PROCESS FOR REMOVAL OF CHROMIUM ION FROM LEATHER INDUSTRIAL WASTES BY ACTIVATED PURE RICE HUSK

The removal of (Cr) ions from industrial wastage by adsorption on rice husk was investigated based on activated pure rice husk dosage, stay time, metal concentration and solution temperature. The optimum values of activated pure rice husk dosage and stay time were determined to be 0.5gm/50ml solution and 60 mins, respectively, for the adsorption of (Cr) ions. The constant for the Freundlich, D-R and Langmuir isotherms were 50%, calculated at 50 . The adsorption of (Cr) from industrial wastage was found to be exothermic. Thermodynamic parameters such as free energy change ( G°), enthalpy change ( H°) and entropy change ( S°) of adsorption also calculated and interpreted from the slope and intercept of the plots of lnkD vs I/T. The G° value decreases with rise in temperature and the negative values of H° indicate that the adsorption of (Cr) from industrial wastage was an exothermic process while positive values of change in entropy ( S°) were also observed

Functional Properties of Banana Starch (Musa spp.) and Its Utilization in Cosmetics

Unripe banana fruit of Musa acuminata (Musa AAA; Hom Khieo) and Musa sapientum L. (Musa ABB; Namwa) growing in Chiang Rai (Thailand) were used for extraction. The yield of the starches was 16.88% for Hom Khieo (HK) and 22.73% for Namwa (NW) based on unripe peeled banana fruit. The amylose contents of HK and NW were 24.99% and 26.23%, respectively. The morphology of starch granules was oval shape with elongated forms for large granules and round shape for small granules. The HK and NW showed B-type crystalline structure and the crystallinities were 23.54% and 26.83%, respectively. The peak temperature of gelatinization was around 77 °C and the enthalpy change (ΔH) was 3.05 and 7.76 J/g, respectively. The HK and NW banana starches showed 1.27 ± 0.12 g/g and 1.53 ± 0.12 g/g water absorption capacity, and 1.22 ± 0.11 g/g and 1.16 ± 0.12 g/g oil absorption capacity, respectively. The swelling power of the banana starches was 17.23 ± 0.94 g/g and 15.90 ± 0.15 g/g, respectively, and the percentage of solubility in water showed 26.43 ± 2.50 g/g and 20.54 ± 0.94 g/g, respectively. The banana starches showed very poor flow character. The HK and NW starches have the potential to be used in powder base preparations with no effect on the sensory texture of the product at 15% w/w maximum.

SN-CUO-ARABIC GUM COMPOSITION FOR RED TRACER PROJECTILE AMMUNITION POTENTIAL

<div><p class="Els-history-head">Fundamentally, tracer projectile material based on pyrotechnic composition, and where the pyrotechnic was generally composed of fuel, oxidizer, and binder. The tin (Sn) material is one of the candidates for fuel material because tin has a low melting point, so this composition can ignite at low temperature, while the copper oxide (CuO) can emit the orange-red spectrum. This study aims to evaluate the thermal and spectrum character of Sn-CuO-AG-based composition. The characterization data of these samples was evaluated by tests of morphology and phase, enthalpy change, calorie energy, and spectrum emission. Based on this data, the 17Sn-68CuO-15AG sample was emitted a strong red color too, but this sample has a high or the longest exothermic process. Furthermore, the 27Sn-58CuO-15AG sample has emitted a weak red color with medium exothermic energy. Generally, the 22Sn-63CuO-15AG is more suitable than the two other compositions for the tracer projectile composition of ammunition, this material emits a strong red spectrum and low-calorie energy.</p></div>

A new activity model for Fe–Mg–Al biotites: I—Derivation and calibration of mixing parameters

A new activity model for Fe–Mg–Al biotites is formulated, which extends that of Mg–Al biotites (Dachs and Benisek, Contrib Mineral Petrol 174:76, 2019) to the K2O–FeO–MgO–Al2O3–SiO2–H2O (KFMASH) system. It has the two composition variables XMg = Mg/(Mg + Fe2+) and octahedral Al, and Fe–Mg and Mg–Al ordering variables resulting in five linearly independent endmembers: annite (Ann, K[Fe]M1[Fe]2M2[Al0.5Si0.5]2T1[Si]2T2O10(OH)2, phlogopite (Phl, K[Mg]M1[Mg]2M2[Al0.5Si0.5]2T1[Si]2T2O10(OH)2, ordered Fe–Mg biotite (Obi, K[Fe]M1[Mg]2M2[Al0.5Si0.5]2T1[Si]2T2O10(OH)2, ordered eastonite (Eas, K[Al]M1[Mg]2M2[Al]2T1[Si]2T2O10(OH)2, and disordered eastonite (Easd, K[Al1/3Mg2/3]M1[Al1/3Mg2/3]2M2[Al]2T1[Si]2T2O10(OH)2. The methods applied to parameterize the mixing properties of the model were: calorimetry, analysis of existing phase-equilibrium data, line-broadening in powder absorption infrared (IR) spectra, and density functional theory (DFT) calculations. For the calorimetric study, various biotite compositions along the annite–phlogopite, annite–siderophyllite (Sid, K[Al]M1[Fe]2M2[Al]2T1[Si]2T2O10(OH)2), and annite–eastonite joins were synthesized hydrothermally at 700 °C, 4 kbar and logfO2 of around − 20.2, close to the redox conditions of the wüstite–magnetite oxygen buffer at that P–T conditions. The samples were characterised by X-ray powder diffraction (XRPD), energy-dispersive scanning electron microprobe analysis, powder absorption IR spectroscopy, and optical microscopy. The samples were studied further using relaxation calorimetry to measure their heat capacities (Cp) at temperatures from 2 to 300 K. The measured Cp/T was then integrated to get the calorimetric (vibrational) entropies of the samples at 298.15 K. These show linear behaviour when plotted as a function of composition for all three binaries. Excess entropies of mixing are thus zero for the important biotite joins. Excess volumes of mixing are also zero within error for the three binaries Phl-Ann, Ann-Sid, and Ann-Eas. KFMASH biotite, therefore, has excess enthalpies which are independent of pressure and temperature (WGij = WHij). A least-squares procedure was applied in the thermodynamic analysis of published experimental data on the Fe–Mg exchange between biotite and olivine, combined with phase-equilibrium data for phlogopite + quartz stability and experimental data for the Al-saturation level of biotite in the assemblage biotite–sillimanite–sanidine–quartz–H2O to constrain enthalpic mixing parameters and to derive enthalpy of formation values for biotite endmembers. For Fe–Mg mixing in biotite, the most important binary, this gave best-fit asymmetric Margules enthalpy parameters of WHAnnPhl = 14.3 ± 3.4 kJ/mol and WHPhlAnn = −8.8 ± 8.0 kJ/mol (3-cation basis). The resulting asymmetric molar excess Gibbs free energy (Gex) departs only slightly from ideality and is negative at Fe-rich and positive at Mg-rich compositions. Near-ideal activity–composition relationships are thus indicated for the Ann–Phl binary. The presently used low value of − 2 kJ/mol for the enthalpy change of the reaction 2/3 Phl + 1/3 Ann = Obi is generally confirmed by DFT calculations that gave − 2 ± 3 kJ/mol for this ∆HFe–Mg order, indicating that Fe–Mg ordering in biotite is weak. The large enthalpy change of ∆HMg-Al disorder = 34.5 kJ/mol for the disordering of Mg and Al on the M sites in Eas (Dachs and Benisek 2019) is reconfirmed by additional DFT calculations. In combination with WHPhlEas = 10 kJ/mol, which is the preferred value of this study describing mixing along the Phl–Eas join, Mg–Al disordering over the M sites of biotite is predicted to be only significant at high temperatures > 1000 °C. In contrast, it plays no role in metamorphic P–T settings.