Chemical and Materials Sciences - Developments and Innovations Vol. 3

Azerbaijan's dynamic growth and socio-economic development prove that ensuring the industry has the necessary mineral raw materials is an acute and urgent issue. This requires an increase in the use of metals and ores, along with the proper redevelopment of waste and previously developed deposit remains, such as Dashkesen iron, Zaylik alunite, Paragachay molybdenum, Gumushluk lead-zinc deposits, etc., using modern techniques and technology. As it is known, the primary raw materials in the development of ferrous metallurgy are iron ore, chromite and manganese ore, coke coal, flux, and refractory materials. Research indicates that a sufficient resource base for ferrous metallurgy in Azerbaijan will not only facilitate the efficient development of the Ganja metallurgical plant but also enable the export of its products. Furthermore, implementing these techniques and technology will contribute to the socioeconomic growth of the country's economy and ensure that environmental considerations are considered in Azerbaijan's mining industry.

The present study primarily focuses on hydrothermal Extraction and Gasification of Low-Rank Coal with Catalyst Al₂O₃ and Pd/Al₂O₃. Increasing the efficiency of the conversion of the coal gasification process can be done by adding a catalyst. Potassium carbonate (K₂CO₃) is a catalyst capable of increasing the rate of reaction in the coal gasification process. This research attempts to increase the quality of low-rank coal using a hydrothermal process with hot compressed water (HCW) at 200ºC and 3 MPa. The products from this process were solid residue and liquid filtrate with organic components. Synthetic gas was the byproduct of the filtrate's gasification. The outcome shows that a higher water flow rate may cause the filtrate's organic component to increase. Using a catalyst sped up the extraction process and increased the amount of organic matter in the filtrate while decreasing its content in the residue. FTIR (Fourier transform infrared spectroscopy) research showed that Pd/Al₂O₃ catalyst enhanced the efficacy of HCW coal extraction. Increasing the process temperature will increase the amounts of CO and H₂ gas. In this research, the highest net heating value at 800^oC using K₂CO₃ solution and Pd/Al2O3 catalyst was 17,774.36 kJ/kg. The highest cold gas efficiency was 91.29% and the best carbon conversion was 34.78%. The addition of the catalyst can increase the rate of the degradation processes of the organic compounds. Hydroxyl groups of the solid product were found to be reduced based on the FTIR results, with absorbance unit decrease from 45% to 25%.

The purpose of this study is to manifest the roles such as the current-controlling behaviors played by the functional groups. Also, the effect of temperature on the electron transport behavior of the system is analyzed by varying the temperature of the top and bottom electrodes and the central molecular region. We focus on the temperature effect of the phenyl-ethylene oligomer, so-called “Tour  Wire” (TW), comprised of phenyl rings separated by triplet-bonded carbon atoms that form a long rigid molecule with \(\pi\)-conjugated delocalized frontier orbitals. To improve the accuracy of the calculation and to reduce the significant computing time the non-vanishing integrals (two electron integrals) are replaced by the associate parameters. The general shapes of the zero transmission spectra for the three TW systems more or less resemble the same with the narrow transmission peak at either side of the Fermi level. By varying the temperature, the energy levels of the isolated molecules are broadened and considerable variation was observed in the transmission of the TW systems. The result shows that for the TW and TW–NH₂ systems, the conductance increases with increasing temperature indicating the dominating transport mechanism which is due to thermionic emission. These theoretical results will be helpful to design and fabricate future molecular electronic devices and circuits with specific properties.

The present study examines changes in the optical, structural, and dielectric properties of the crystals following irradiation and utilizes techniques such as UV-visible spectroscopy, atomic force microscopy (AFM), and scanning electron microscopy (SEM) to analyze the effects. The findings suggest modifications in optical absorbance, surface morphology, and structural integrity due to irradiation. Single crystals of ammonium penta borate (APB) were irradiated with 120 MeV Ag⁹⁺ swift heavy ions (SHI) of fluence 1×10¹³ ions/cm². The UV-visible spectrum of irradiated crystal shows a slight shift in the absorption edge and it also indicates the non uniformity in its absorbance level. The AFM image confirms that the SHI-irradiated sample has a strong presence of raised tails and bulges. The surface roughness of the irradiated crystal is found to be several folds larger than the non-irradiated sample.

The present study report on the growth of Mo-doped ZnO (MZO) films by chemical spray process and the results on film characterization. Using the spray pyrolysis method, molybdenum (Mo)-doped zinc oxide (ZnO) thin films were produced on corning 7059 glass substrates. The layers were deposited with the Mo-doping constant set at 2 at. % for a range of solution concentrations from 0.01M to 0.2M.  The change in properties of the films by varying Zn molarity was studied. X-ray diffraction studies showed polycrystalline nature of the films with (002) preferred orientation and exhibited wurtzite structure. The layers formed at 0.1M molar concentration exhibited better crystallinity compared to other layers. Raman studies are in good agreement with XRD. Surface morphology varied significantly with Zn-molar concentration. An average transmittance of the layers was 80% in the visible region and the band gap varied from 3.31 eV to 3.5 eV. The detailed analysis of the results including photoluminescence are reported and discussed. The optical results identified that films with 0.1M concentration showed optical transmittance of 80% in the visible region and the energy band gap varied between 3.31eV to 3.5eV. The photoluminescence data supported the change in band gap with solution concentration. These crystalline, single phase and transmissive Mo-doped ZnO layers could be used as window layers in solar cells.

The effects of 0-15 wt.% Zn metal powder, glost firing temperature, reducing, and oxidizing atmosphere on transparent low firing glaze doped with 5 wt.% Fe₂O₃ were studied. It was found that the glost firing at 1100°C is suitable for transparent low firing glaze doped with Fe₂O₃ on earthenware. The color of glazes changed from yellowish brown to dark red-brown with increasing content of the Zn powder which the color intensity of reducing fired glaze is higher than oxidizing one on each same formula. The ZnFe₂O₄ is main form for both oxidizing and reducing fired glaze. L* a* b* values for fired glazes with 10 wt.% Zn powder and 5 wt% Fe₂O₃ are 42.2, +8.6, +20.2 and 41.3, +9.9, +20.7 for under oxidizing and reducing atmosphere, respectively. Finally, the water contact angles of the fired glazes are 43.8° and 38.4° under oxidizing and reducing, respectively, which could be easy to cleaning.

The present study highlights the thermal Degradation of Organophosphorus Flame Retardants. The need to replace more conventional materials with ones that are more effective and have relatively low toxicity is driving the development of novel organophosphorus flame retardants for polymeric materials. These substances need to break down in a degrading polymer matrix in order to produce species that either encourage solid phase modification or produce active radical moieties that escape into the gas phase and halt processes that propagate combustion.  An understanding of the decomposition process for these compounds may provide insight into the nature of flame retardant action which they may offer and suggest parameters for the synthesis of effective new organophosphorus flame retardants. The thermal degradation of a series of organophosphorus esters varying in the level of oxygenation at phosphorus—alkyl phosphate, aryl phosphate, phosphonate, phosphinate—has been examined. Initial degradation in all cases corresponds to the elimination of a phosphorus acid. However, the facility with which this occurs is strongly dependent on the level of oxygenation at phosphorus. For alkyl phosphates elimination occurs rapidly at relatively low temperature. Degradative elimination occurs much more readily for these compounds (high level of oxygenation at phosphorus) than for compounds containing low levels of oxygenation at phosphorus, phosphonate, and phosphinate.  For aryl phosphates, the same procedure takes place at a slightly higher temperature. Phosphorous acid is removed from phosphonate or phosphinate at a temperature that is significantly higher and more slowly. Additionally, the acids created by removal break down quickly to produce new volatile species. 

Anthranilic acid and its analogs have an impressive biological profile; its structural nucleus has been thoroughly studied for the development of pharmaceuticals. Due to the predicted in silico methods spasmolytic activity, we synthesized a hybrid molecule of anthranilic acid and substituted 2-phenylethylamines. Phenylethylamines are serotonin agonists and are building blocks of isoquinoline alkaloids. Therefore, the synthesis of a new hybrid molecule of anthranilic acid and substituted 2-phenylethylamines, is extremely interesting in view of what properties the newly obtained molecule would inherit from both fragments. The current study has shifted towards the synthesis of novel hybrids as spasmolytic and anti-inflammatory agents. DFT calculations and docking simulations were performed on the synthesized compounds. The obtained results from all the experiments demonstrate that the hybrid molecule and its diamides inherit spasmolytic, antimicrobial, and anti-inflammatory capabilities, making them excellent candidates for future medications. Based on the experimental data, we can conclude that a collection of Novel 2-phenylethylamine hybrids were successfully synthesized and they can be considered as antispasmodics and anti-inflammatory drug candidates – alternatives to current therapeutics.

In the quest to combat microbial threats and enhance public health safety, the innovative field of antimicrobial polymers emerges as a beacon of hope. This chapter delves into the cutting-edge development of these polymers, which are ingeniously designed to thwart the proliferation of harmful microorganisms. By exploring the myriad of surface modification techniques, the chapter illuminates the pathways through which polymers acquire their disease-fighting capabilities. It further elucidates the intricate mechanisms by which these materials wage war against a spectrum of pathogens, including bacteria, viruses, and fungi. The discourse extends to a critical examination of international testing standards, ensuring that these revolutionary materials are rigorously evaluated for efficacy. Moreover, the paper addresses the paramount concern of toxicity, particularly when these polymers are employed in sensitive sectors such as healthcare and food packaging. Through this comprehensive review, the article under-scores the pivotal role of antimicrobial polymers in safeguarding our future and advancing the frontiers of material science.