Thermogravimetric Differential Thermal Analysis Research Articles

Exploring the adsorption potential of lanthanum (III), samarium (III), and cerium (III) from aqueous solutions utilizing activated carbon derived from date seeds

In the present investigation, Lanthanum (III), Samarium (III), and Cerium (III) were subjected to adsorption onto activated carbon derived from date seeds (ACDS), which underwent activation using 40 % sulfuric acid. The activated carbon (ACDS) was characterized through X-ray Diffraction (XRD), Thermogravimetric Analysis-Differential Thermal Analysis (TG-DTA), and Fourier Transform Infrared Spectroscopy (FTIR). Thermodynamic parameters were calculated to assess the sorption process, revealing an endothermic and spontaneous nature, accompanied by an increase in system randomness. The findings showed that when the pH rose to an ideal level of 5.7 and the contact duration was extended to 180 min, the number of cerium (III) and samarium (III) ions absorbed increased. the distribution coefficient (Kd) of La(III) from 22.22 to 1000 mL/g, Ce(III) from 28.07 to 1865.38 mL/g, and Sm(III) from 35.71 to 3971.43 mL/g, with the pH varying from 1.2 to 5.7. The Langmuir model exhibited superior fitting to the experimental data compared to the Freundlich model, suggesting homogeneous adsorption on the ACDS surface. The maximum adsorption capacities (Qmax) for La3+, Ce3+, and Sm3+ onto ACDS were determined as 18.18 mg/g, 24.58 mg/g, and 27.82 mg/g, respectively.

Single crystal of barium bis para-nitrophenolate para-nitrophenol tetrahydrate for NLO applications: crystal growth and DFT analysis

Abstract Single crystals of barium bis para-Nitrophenolate para-Nitrophenol tetrahydrate (BBPNT) were grown via the slow evaporation technique. The crystal dimensions were measured to be 15 mm × 10 mm × 6 mm. The BBPNT crystal was analyzed using X-ray diffraction, FTIR spectrum, UV–vis spectrum, dielectric studies, thermo-gravimetric (TG) differential thermal analyses (DTA), Vickers microhardness test, second-harmonic generation efficiency, Z-scan technique, PL spectra, and laser damage threshold studies. These findings were previously published in our paper. In the current situation, the theoretical methods include analyzing several aspects, such as the molecular structure determined using X-ray experimentation at its lowest energy state. This analysis is then contrasted by means of density functional theory (DFT) with a suitable set of basic functions. The first-order hyperpolarizability may also be determined via the use of Density Functional Theory (DFT) methods. The molecule’s stability, resulting from hyper conjugative interactions, was examined using the natural bond orbital approach to analyses its nonlinear optical activity and charge delocalization. The magnitude of the HOMO–LUMO energy gap indicates the potential for charge transfer inside the molecule. The investigation of donor-acceptor interactions was conducted using NBO analysis based on optimized ground state geometries.

Physical and chemical techniques for a comprehensive characterization of river sediment: A case of study, the Moquegua River, Peru

River sediment is comprised of complex mineral systems composed by different kinds of organic and inorganic matter, and thus, is difficult to characterize. Besides, some standard techniques, such as X-ray diffraction (XRD), energy dispersive X-ray (EDX), optical and scanning electron microscopy, Fourier transmission infrared spectroscopy, inductively couple plasma-mass spectrometry (ICP-MS), and simultaneous Thermogravimetric Analysis – Differential Thermal Analysis (TGA-DTA), Mössbauer spectroscopy and magnetometry can provide substancial information about the compositional, physical, and chemical characteristics. In the current study, the versality of these methods is tested and the information provided by these methods for eight sediment samples, collected from the Moquegua River, Peru is compared. Qualitative analysis indicates that the samples consist of sand grains with different shapes, sizes, and colors coexisting with the presence of some diatoms. The chemical and mineralogical analysis reveal that the samples are composed mainly of silicon (Si), aluminium (Al), sodium (Na), potassium (K), aluminon–silicates, and carbonates, typical for river sediment. More detailed information obtained by these techniques include the discovery of adsorbed oxygen–hydrogen (O–H), carbon–H (C–H) and C, from organic matter, the thermal reactions and decomposition of the components, and the identification of the minor iron–oxides components. Further, other properties such as magnetic interaction are also analyzed in detail.

Application of a Bio-waste Einkorn (Triticum monococcum L.) Husks Adsorbent for Removal of Metanil Yellow and Methylene Blue from Aqueous Media with Equilibrium, Kinetic, and Thermodynamic Studies

In this study, the activated carbon (TmAC) with a high surface area and appropriate pore distribution was produced from einkorn (Triticum monococcum L.) husks by using ZnCl2 with chemical activation method. The efficiency of the obtained activated carbon on the adsorption of anionic (metanil yellow) and cationic (methylene blue) dyestuffs from aqueous solutions was investigated in more detail. In addition, the surface characterization of activated carbon was performed using thermogravimetric analysis-differential thermal analysis (TGA-DTA), elemental analysis, scanning electron microscopy (SEM) images, Brunauer–Emmett–Teller (BET) specific surface areas, N2 adsorption–desorption isotherms, pore volumes, pore size distributions, and Fourier-transform infrared spectroscopy-attenuated total reflection (FTIR-ATR) spectra. The highest surface area of activated carbon was measured as 1321 m2 g−1 at the carbonization temperature of 500 °C by using impregnation ratio (w/w = 2.0). Batch method was used in adsorption experiments. The parameters affecting the adsorption studies such as adsorbent concentration, initial dye concentration, adsorption time, temperature, and pH were investigated. The adsorption mechanisms of metanil yellow (MY) and methylene blue (MB) on activated carbon were explained by using isotherms (Langmuir, Freundlich, Temkin, and Dubinin-Radushkevich), kinetic models (pseudo-first-order and pseudo-second-order), and the thermodynamic parameters (Gibbs free energy, enthalpy, and entropy).Graphical

Isolation and Characterization of a Novel Crystalline Pigment as a Natural Colorant

This research focuses on the isolation and thorough characterization of a distinctive pigment-producing bacterial strain, ACFM05, obtained from Daucus carota subsp. Sativus (Carrots). The pigment was systematically examined for morphological, microscopic, biochemical, and molecular features, utilizing 16S rRNA sequencing. The strain was identified as a novel species within the Micrococcus genus, specifically classified as Micrococcus yunnanensis. The optimization of pigment extraction parameters revealed a pH of 8 at 40 °C as the ideal conditions for maximum yield. UV studies indicated that the pigment, extracted with methanol as the solvent, exhibited a notable absorption peak at 445 nm, closely resembling the absorption peak of carotenoids. The growth biomass of the bacteria was found to be influenced by the antioxidant activity, reducing power assay, and total phenolic content. The pigment extracts were further evaluated for their antifungal, antibiotic sensitivity, and antibacterial activities against Pseudomonas, Staphylococcus aureus, and Escherichia coli. Results indicated significant potential for the pigment as an antimicrobial agent. To elucidate the molecular and structural characteristics of the pigment, Fourier-transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), thermogravimetric-differential thermal analysis (TG-DTA), and scanning electron microscopy (SEM) analyses were employed. The findings from these analyses collectively confirmed the presence of carotenoids in the bacterial pigment. Furthermore, XRD studies revealed the crystalline nature of the pigment. In conclusion, the unique crystalline pigment isolated from Micrococcus yunnanensis ACFM05 demonstrates promising potential as a natural colorant for food applications. This study contributes valuable insights into the microbial production of pigments with multifaceted applications in the food industry.

Development of a sprayable PVA-fiber-enhanced cement mortar with high acid-corrosion resistance for pipeline rehabilitate

The spraying method offers the advantages of environmental protection, convenient construction, and cost-effectiveness, making it widely used in pipeline structure repair. Given the complex service environment of pipelines, there is an urgent demand for high-strength and durable spraying materials. To achieve this goal, a PVA fiber reinforced cement mortar material (PFCM) with high early strength, excellent impermeability and stable acid corrosion resistance was developed through orthogonal test design. The optimal material was obtained through factors such as setting time, fluidity, compressive strength and flexural strength. The effects of the contents of fly ash, redispersible polymer powder and PVA fiber on the working and mechanical properties of the material were investigated, and further research was conducted on its tensile strength, impermeability, acid corrosion resistance. In addition, Thermogravimetric-differential Thermal Analysis (TG-DTA) was utilized to analyze the thermal stability of PFCM. X-ray diffraction (XRD) was utilized to analyze the composition of PFCM. Mercury intrusion porosimetry (MIP) was utilized to analyze the pore structure of PFCM, and the feasibility of the PFCM was verified. The results indicate that the contents of fly ash, redispersible polymer powder and PVA fiber have significant effects on the working and mechanical properties. The optimum initial setting time is 60–80 min, and the optimum fluidity is between 170 and 180 mm. The compressive strength and flexural strength of the mortar prepared with the optimum parameters are 102.5 MPa and 20 MPa, respectively. The material has an excellent spraying effect with no sagging, and exhibits high early strength, outstanding corrosion resistance, low porosity, and exceptional impermeability. This study lays the foundation for achieving high-quality spray repairs of underground drainage pipelines.

Insights into ancient ceramic technology: a comprehensive analysis of mineralogy, chemistry and firing conditions

The intensive integration of Azerbaijan into the global economy, mainly through international gas and oil pipeline construction, has led to significant archaeological research in the past two decades. The construction of the Baku-Tbilisi-Ceyhan oil pipeline (BTC) and the Southern Caucasus Pipeline gas pipeline (SCP) prompted a four-year archaeological fieldwork program, followed by a six-year post-excavation program. The current work applied an interdisciplinary approach using various instrumental methods for studying ancient artifacts found during those projects. The thermogravimetric method and differential thermal analysis were employed to obtain insights into the production technology of the ancient pottery and information about the mineralogy of the ceramic sherds. The complex processes involved in firing the ceramic paste have been studied extensively, and patterns in mass loss ratios during different temperature ranges have been established. In total, 15 samples were investigated, and the thermogravimetric analysis of ceramic shards revealed that the firing temperature of the samples was in the range of 700 °C. XRD analysis confirmed the presence of quartz, feldspar, and clay minerals in the ceramic samples. The presence of calcite and other specific minerals is subject to the origin of the ceramic materials. The results obtained from this multidisciplinary approach provide insights into the firing technology and the origin of the ceramic samples.

GO@dopamine-Cu as a Green Nanocatalyst for the Efficient Synthesis of Fully Substituted Dihydrofuran-2(5H)-ones

A new nanocatalyst graphene oxide@dopamine-Cu was synthesized, and its structure was characterized by fourier transform infrared (FT-IR), X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Energy Dispersive X-ray Spectrometry (EDX), and thermogravimetric analysis – differential thermal analysis (TGA-DTA) techniques. The three-component one-pot reaction between an arylamine, aromatic aldehyde, and acetylenic carboxylate was achieved and formed methyl 5-oxo-2-aryl-4-(arylamino)-2,5-dihydrofuran-3-carboxylate derivatives (4) in the presence of the catalytic amount of graphene oxide@dopamine-Cu nanocatalyst in high yield. Molecular structures of products were characterized by FT-IR, 1H, 13C nuclear magnetic resonance (NMR), and Mass spectroscopy techniques. Representatively, the mass fragmentation of 4a was discussed, and the structure was confirmed. Easy reaction, high performance, and easy catalyst recyclability are the main advantages of this work. This nanocatalyst is recycled up to five successive runs.

Effects of rock water with different acidity on microstructure and reburning ability of residual coal in goaf

To explore the influences of rock water acidity (PH = 4,5,7) over the microstructure and reburning behaviors of oxidized residual coal in the overlying goaf, the pore morphology, coal surface, functional group content and activity of pre-oxidized coal (O0) and water-immersed oxidized coal (OI) were analyzed by Low-temperature nitrogen adsorption and In-situ diffuse reflection experiments, combining with fractal dimension theory and functional group oxidation kinetics. The oxidation and reburning ability of coal samples has been analyzed by Thermogravimetric-Differential thermal analysis experiment. The results are as follows: Part of the type-III pores of pre-oxidized coal become type-II pores when immersed. The acidic solution has stronger corrosivity to O0 than distilled water, playing a role in smoothing coal and improving the uniformity of pore structure. The order of reburning ability of samples is OI7>OI4>O0>OI5 according to the ignition and stage average mass loss rate (RM). The reactivity of –OH may affect the reburning ability of coal more than its initial content. Soaking is beneficial to the decrease of activation energy of aliphatic groups, and the activity of –C=O- and -C-O- in acid-soaked coal molecules is stronger, so that they can take part in coal-oxygen composite reactions at low temperature.

Characteristics of metakaolin-based geopolymers using bemban fiber additives

<p>The aim of this study was to investigate the chemical composition and thermal properties of kaolin, the physical properties of metakaolin, and the mechanical properties of metakaolin-based geopolymers using bemban fiber. Kaolin was calcinated to become metakaolin at 600 ℃ for 2 h for optimum conditions. The chemical composition of kaolin mostly consisted of 59.30% SiO<sub>2</sub>, 34.30% Al<sub>2</sub>O<sub>3</sub>, and 3.06% Fe<sub>2</sub>O<sub>3</sub>. The transformation of kaolin into metakaolin with temperature was determined through thermal stability tests and analyzed using thermogravimetric analysis (TGA) and differential thermal analysis (DTA). Regarding the thermal properties of kaolin, predehydroxylation occurred at 31.07–92.69 ℃, dihydroxylation occurred at 400–600 ℃, and the endothermic peak in the DTA curve was recorded at 505.63 ℃. This research also analyzed the physical and mechanical characteristics of metakaolin-based geopolymers, with the additional variation percentages of bemban fiber alloys resulting from a 3% NaOH alkalization treatment for 2 h. The test results indicate that the bemban fiber improves the physical and mechanical characteristics of geopolymers. This improvement is related to the enhanced geopolymer characteristics, including a water absorption capacity of 1.10%, porosity of 2.32%, compressive strength of 35.33 MPa, and splitting tensile strength of 11.29 MPa with the addition of 1.5% bemban fiber. Although the split tensile strength increases as the fiber content increases, adding 1.5% of bemban fiber is optimum because a higher content decreases the workability of mixtures.</p>

Characterization and properties of Chinese red clay for use as ceramic and construction materials.

This study involves the characterization and analysis of a Chinese red clay obtained from Hunan province to determine its suitability for manufacturing ceramic products. X-ray fluorescence analysis showed the clay has high silica (63.25 weight percent) and alumina (21.38 weight percent) content along with iron oxide, alkalis, and calcium acting as fluxes. X-ray diffraction (XRD) confirmed the presence of quartz, kaolinite, illite, and hematite as the major mineralogical phases. Scanning electron microscopy revealed loosely stacked, plate-shaped kaolinite particles exhibiting pseudohexagonal morphology. Particle size distribution shows a d50 of 12.7 μm and specific surface area is 21.3 m2/g. Differential thermal analysis-thermogravimetric analysis showed mass losses between 450-600°C and 950-1050°C corresponding to dehydroxylation and formation of a liquid phase, respectively. Dilatometry traced the onset of viscous flow sintering around 1000°C. Test bars produced from the clay were fired at 800°C, 900°C, 950°C, 1000°C, and 1050°C. The firing shrinkage increased from 2.5% at 800°C to 12.8% at 1050°C. Strength improved from 11.2 megapascals at 800°C to 42.3 megapascals at 1050°C due to densification and mullite formation. Hematite content caused the color to change from orange-red at 950°C to dark red at 1050°C. XRD analysis of fired specimens confirmed the presence of hematite and newly formed mullite and cristobalite phases. The results indicate the suitability of the clay for manufacturing bricks, roof tiles, and wall tiles using appropriate firing temperatures and cycles.

WASTE EGGSHELLS AS CATALYSTS: AN ENVIRONMENTALLY-FRIENDLY APPROACH

Sustainability is crucial for the survival of mankind, ecosystem for the development of society. There have been huge amount of waste have been dumped which creates pollutions. Hence, from Green chemistry perspective it is a protocol to design heterogeneous catalysts which can yield products from waste products with minimization of wastes pollution with environmentally friendly heterogeneous catalytic process for the developed environmentally friendly products with longevity. Such green synthesized heterogeneous catalysts will replace the existing homogeneous process to heterogeneous catalysts being developed from waste materials. This abstract highlight key aspects on the preparation of heterogeneous catalysts derived from waste materials such as egg shell, rice husk for synthesis of Ag Nanoparticles developed, which can applied for biomass conversions, to environmental remediation, heterogeneous catalysts for organic transformations. These egg shell CaO catalysts are characterized using analytical techniques, such as: X-ray diffraction (XRD), Fourier-transform infrared (FT-IR), Thermogravimetric-Differential Thermal Analyzer (TG-DTA), Scanning electron microscope (SEM), Brunauer-Emmett-Teller (BET) surface area, which gives its complete picture of its structure, porosity, morphology, thermal stability, reusability, and activity of catalysts. Hence heterogeneous catalysts developed from egg shell wastes and medical plants will become increasingly popular since two decades. Since, the egg shell waste is developed into egg shell CaO catalysts for cleaner, reusable, eco-friendly catalysts for economic growth for Namibia and other developing and underdeveloped countries.

Cetyl alcohol surface functionalization: a strategy for modulating electronic characteristics of boron nitride nanosheets

Hexagonal boron nitride (h-BN) is a two-dimensional material with a unique layered structure akin to Graphene. Cetyl alcohol (CH₃(CH₂)₁₅OH) denoted as CA, a fatty alcohol derived from natural sources like palm oil and coconut oil, holds a significant place in various industries due to its versatile properties. Cetyl alcohol's has a potential in forming stable nanostructures and its interactions with other compounds, shedding light on its utility in nanotechnology and materials science. In this work exfoliation of BNNS and subsequent functionalization using Cetyl alcohol is investigated. The functionalization of boron nitride nanosheets (BNNS) using CA is investigated in this study. The modification process aims to enhance the properties and applications of BNNS. OH groups are functionalized and bring about beneficial changes to its properties, enabling enhanced interactions with other compounds. This modification can lead to improved solubility, emulsification, and lubrication capabilities, expanding its utility in various applications such as cosmetics, pharmaceuticals, and industrial processes. Characterization techniques, including Thermogravimetric analysis(TG/DTA), UV-Visible spectroscopy, Photoluminescence, X- ray diffraction (XRD), Raman spectroscopy, Fourier transform infrared spectroscopy (FTIR) are employed to analyze the efficacy of the functionalization process. Thermogravimetric-differential thermal analysis (TG-DTA) was utilized to investigate the thermal characteristics of the functionalized samples.

Thermochemical Properties of Synthesized Urea from Recovered Ammonia and Carbon Dioxide in Well-Ordered Nanospaces of Hollow Silica Spheres.

The present work investigated the thermochemical properties of urea synthesized in well-ordered nanospaces of porous hollow silica spheres' shells from recovered ammonia and carbon dioxide in aqueous solution. Thermochemical behaviors of the urea synthesized in well-ordered nanospaces of the hollow spheres' shells prepared with 1-dodeclyamine were analyzed from the results of thermogravimetric analysis (TGA) and differential thermal analysis (DTA), and endothermic peaks assigned as the phase transition and decomposition were observed at ca. 440 and 514 K, respectively, which were higher than those of pristine urea (405 and 408 K, respectively), probably because of the nanoconfinement effect. The decomposition behavior was also confirmed by the result of diffuse reflectance infrared Fourier transform (DRIFT) spectra of the samples treated at various temperatures up to 573 K, and the decomposition of urea synthesized in the well-ordered nanospaces of the hollow spheres' shells started at 468 K and completed up to 533 K.

Performance assessment of graphene oxide decorated with silver nanoparticles as adsorbent for removal of metformin from water: Equilibrium modeling, kinetic and thermodynamic studies

In the present study, graphene oxide decorated with silver nanoparticles (GO@AgNPs) was synthesized for the effective removal of metformin from water. The prepared GO@AgNPs was characterized by using Fourier transform Infrared spectroscopy (FTIR), X-ray diffraction (XRD), thermogravimetric-differential thermal analyses (TGA-DTA), scanning electron microscopy (SEM) coupled with electron dispersive X-ray spectroscopy (EDX) and transmission electron microscopy (TEM). Response surface methodology via Box-Behnken design was adopted for optimizing the variables of adsorption of metformin on GO@AgNPs. Under the optimized conditions (contact time = 50 min; pH = 6.5; adsorbent dose = 0.015 g; initial concentration = 50 mg/L) the adsorption capacity and removal efficiency for metformin were 131.7 ±.0.30 mg/g and 99.34% ±.0.33, respectively. The adsorption data obtained at 305, 310, 315 and 320 K were assessed by non-linear adsorption isotherm and kinetic models. Freundlich isotherm model fits best to the measured data. The pseudo second order kinetic equation fits well to the measured kinetic data. The study of impact of temperature on the adsorption demonstrated that the sorption process was endothermic (∆H° = 31.335 kJ/mol; Ea = 32.009 kJ/mol) and spontaneous in nature (∆G° = −11.162, −11.876, −12.537 and −13.268 kJ/mol at 305, 310, 315 and 320 K, respectively). Moreover, the value of sticking probability (S* = 0.00082) illustrated high probability for metformin sticking on the surface of GO@AgNPs. The adsorption/desorption study shows that there was no loss in adsorption capacities upto 6 cycles which demonstrated the effectiveness of GO@AgNPs as a potential adsorbent for remediation of metformin from aqueous system.

Accelerated Water Desorption of Oligomeric Poly(ethylene glycol) by Addition of Poly(propylene glycol) for Energy-Efficient Water Recovery Systems.

Adsorbents are used to recover water vapor from the atmosphere in desiccant air conditioning (DAC) and atmospheric water harvesting (AWH) systems. Solid adsorbents have been conventionally used in these systems, though liquid adsorbents are considered to be more effective for energy-efficient fluidic thermosystems because of their low regeneration temperatures (45-70 °C). While most previous studies have focused on improving the adsorption performance, the desorption performance of adsorbents can also be a critical factor in improving the energy efficiency of these systems. Thus, this study aimed to improve the water desorption efficiency, focusing on the liquid adsorbents. We found that mixing hydrophobic molecules into a liquid adsorbent decreases the desorption temperature and increases the water-desorption efficiency. Oligomeric poly(ethylene glycol) (PEG), a common moisture-adsorbing liquid oligomer used in detergents and cosmetics, was selected as the liquid adsorbent. Oligomeric poly(propylene glycol) (PPG), which has a structure analogous to PEG and lower hygroscopicity, was selected as the hydrophobic molecule. Water adsorption and desorption experiments showed that the mixture of PPG with PEG promoted the desorption of water molecules beyond that of PEG, while thermogravimetric differential thermal analysis revealed a decrease in the water desorption temperature with increasing PPG content. The improved desorption efficiency was ascribed to the likely water adsorption equilibrium between PEG and PPG in the blend; water molecules are preferentially desorbed from PPG, which has weaker water-adsorbate interactions. The proposed concept is expected to be incorporated into various hygroscopic liquids to develop energy-efficient liquid adsorbents for DAC and AWH.

Thermally processed phase change behavior on the stoichiometric efficacy of quaternary Se77.5-X Te20 Sn2.5 AgX (X = 2.5, 5, 7.5) thin films

Thin films of the quaternary metal chalcogenide have recently gained attention due to their improved electrical, optical, thermal, and structural properties. The structural, thermal, morphological, optical, and electrical properties of Ag-modified novel quaternary Se–Te–Sn–Ag thin film systems are investigated in this paper. Temperature-dependent structural, electrical, and thermoelectric properties are given special attention. From Differential Thermal Analysis/Thermogravimetric Analysis (DTA/TGA), the Ag content in this composition induces thermal stability and crystalline phase as well as glass phase transitions. High-temperature X-ray diffraction (HTXRD) patterns were used to investigate the temperature-dependent structural phase transition, grain size, lattice strain, and dislocation density. The morphological observations show that Ag concentration promotes the nucleation and growth processes of nanorod structures in as-deposited thin films. Optical characteristics reveal higher IR transparency in thin films and high refractive indexes in the range of 3.22–3.29. The as-deposited thin films resistivity decreases with increasing temperature and silver content. The Hall measurement corroborates the results obtained from the Seebeck measurements, indicating that the samples are n-type. The phase change switching mechanism of phase change devices is still unclear; there are two possible mechanisms: thermal and electronic models. This work proposes thermally processed phase transition behaviors in structural and electrical studies. The result of the above analyses shows that the quaternary Se–Te–Sn–Ag thin film will be a potential candidate for phase change device applications.

Synthesis, growth, and optical applications of N, N′-bis (2-aminophenyl) ethane-1,2-diammonium picrate: An organic crystal

Futuristic organic nonlinear optical single AEDP crystal bearing the IUPAC nomenclature of N, N′-Bis(2-Aminoethyl) Ethane-1,2-Diammonium Picrate was grown via slow evaporation approach in aqueous solvent. The single crystal X-ray diffraction studies were employed for resolving lattice parameters of AEDP single crystal. The data regarding triclinic crystalline structure, bonds vibrations and symmetries of molecular vibrations of the prepared single crystal were realized adopting XRD, FT-IR and vibrational measurements techniques respectively. Evidences regarding excellent crystal optical transparency and maximum crystal non-linear optical properties for the prepared AEDP crystal in the range 200–2000 nm were revealed by Optical absorbance spectrum documented in the UV–vis–NIR wavelength range enhances the scope of unearthing and evolving potential nonlinear systems. Thermal stability and nonlinear optical (NLO) nature of AEDP crystal were inspected by applying differential thermal-thermo gravimetric analysis (DTA–TGA) and second harmonic generation test respectively. The promising features of the crystal leads towards application in the design of nonlinear optical devices and light-controlled electrical switches.

A comparative study of calcium hydroxide, calcium oxide, calcined dolomite, and metasilicate as activators for slag-based HPC

In this study, the mechanical characteristics and microstructure of high-performance concrete (HPC) were thoroughly investigated and the influences of alkaline earth and metasilicate activators on material properties were comprehensively analyzed. Moreover, the carbon footprint of each mix design was evaluated and the strength to the carbon footprint was quantified. To evaluate the mechanical properties, the samples underwent tests for compressive, tensile, and flexural strengths at 28 days. Microstructure characteristics were analyzed using Scanning Electron Microscopy (SEM) and Thermogravimetric Analysis/Differential Thermal Analysis (TGA/DTA). Additionally, electrical resistance and water absorption tests were conducted. The findings revealed that employing 10% CaO as an HPC activator resulted in the highest compressive strength (80 MPa), flexural strength (6.4 MPa), splitting tensile strength (5.5 MPa), and electrical resistance (445 Ωm). Moreover, these samples exhibited the lowest water absorption percentage (2%). TGA/DTA analysis indicated the highest content of Calcium Silicate Hydrate (C-S-H) in the geopolymer matrix of samples activated with 10% CaO. SEM analysis confirmed the densest microstructure formation in these samples. Moreover, the study demonstrated that using 10% CaO as an HPC activator can yield superior strength to the embodied carbon footprint.

Synthesis, crystal structures, spectroscopy, and quantum chemical studies on the 4-dimethylaminopyridinium-2,4-dinitrophenolate: an organic NLO material for optoelectronics.

In this work, the 4-dimethylaminopyridinium-2,4-dinitrophenolate (4DMAP + 2,4DNP) by slow evaporation solution growth method has been presented. The Fourier transform infrared (FT-IR) (4000-400cm-1) and FT-Raman (4000-50cm-1) spectra were recorded for the grown crystal. The computational calculation has been carried out with density functional theory (DFT) in ground state with Gaussian program package. Optimized geometrical parameters (bond distances, bond angles, and dihedral angles) have been obtained and compared with X-ray crystallography data. The calculated fundamental vibrational frequencies from DFT/B3LYP with 6-311 + + G(d,p) level of theory were scaled so as to agree with the observed results, and the scaling factors were reported. Experimental and computed ultraviolet-visible (UV-Vis) spectra in acetone and methanol solvents were found comparable to each other. Furthermore, the frontier molecular orbitals (FMOs) energies, molecular electrostatic potential (MEP), nonlinear optical (NLO), hirshfeld surface (HS), and global chemical descriptors of the molecule were also calculated. The thermal stability and the melting point of the title compound were analyzed by the thermogravimetric analysis/differential thermal analysis (TGA/DTA) techniques. The mechanical behavior of the organic single crystal was measured by Vickers micro-hardness method. The third-order nonlinear optical properties such as nonlinear refractive index (n2), nonlinear absorption coefficient (β), optical nonlinear susceptibility Reχ(3), and optical nonlinear susceptibility Imχ(3) were calculated by using the open and closed aperture Z-scan technique. The theoretical and experimental NLO values clearly proposed that the nonlinearity of 4DMAP + 2,4DNP molecule could be helped as a potential candidate for optical limiting, frequency doubling, and optical switching applications.