Search results for: quantum chemical

Authors: M. N. Akhtar, J. N. Akhtar

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The present study evaluates the properties of class F fly ash as a replacement of natural materials in civil engineering construction industry. The low-lime flash similar to class F is the prime variety generated in India, although it has significantly smaller volumes of high-lime fly ash as compared to class C. The chemical and physical characterization of the sample is carried out with the number of experimental approaches in order to investigate all relevant features present in the samples. For chemical analysis, elementary quantitative results from point analysis and scanning electron microscopy (SEM)/dispersive spectroscopy (EDS) techniques were used to identify the element images of different fractions. The physical properties found very close to the range of common soils. Furthermore, the fly ash-based bricks were prepared by the same sample of class F fly ash and the results of compressive strength similar to that of Standard Clay Brick Grade 1 available in the local market of India.

Keywords: fly ash, class F, class C, chemical, physical, SEM, EDS

Procedia PDF Downloads 163

Authors: M. Benhamza, M. Touati, M. Aissaoui

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The Guelma-Bouchegouf irrigated area is located in the north-east of the country; it extends about 80 km. It was commissioned in 1996, with an irrigable area of 9250 ha, it spreads on both banks of the Seybouse Wadi and it is subdivided into five autonomous distribution sectors. In order to assess the state of groundwater quality, physico-chemical and organic analyzes were carried out during the low water period in November 2017, at the level of fourteen wells in the Guelma-Bouchegouf irrigation area. The interpretation of the results of the chemical analyzes shows that the waters of the study area belong to two dominant chemical facies: sulphated-chlorinated-calcium and Sulfated-chlorinated-sodium. The mineral quality of the groundwater in the study area shows that Ca²⁺, Cl⁻ and SO₄²⁻ indicate little to significant pollution, Na⁺ and Mg²⁺ show moderate to significant mineralization of water, closely correlated with very high conductivities. NO₃⁻ and NH⁴⁺ show little to significant pollution throughout the study area. Phosphate represents a significant pollution, with excessive values exceeding the allowable standard. Phosphate concentrations indicate pollution caused by agricultural practices in the irrigated area, following the use of phosphates in the form of chemical fertilizers or pesticides.

Keywords: Algeria, groundwater, irrigated perimeter, pollution

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Authors: M. Helen

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Chemical graph serves as a convenient model for any real or abstract chemical system. Dendrimers are novel three dimensional hyper branched globular nanopolymeric architectures. Drug delivery scientists are especially enthusiastic about possible utility of dendrimers as drug delivery tool. Dendrimers like poly L lysine (PLL), poly-propylene imine (PPI) and poly-amidoamine (PAMAM), etc., are used as gene carrier in drug delivery system because of their chemical characteristics. These characteristics of chemical compounds are analysed using topological indices (invariants under graph isomorphism) such as Wiener index, Zagreb index, etc., Prof. V. R. Kulli motivated by the application of Zagreb indices in finding the total π energy and derived Gourava indices which is an improved version over Zagreb indices. In this paper, we study the structure of PLL-Dendrimer that has the following applications: reduction in toxicity, colon delivery, and topical delivery. Also, we determine first and second Gourava indices, first and second hyper Gourava indices, product and sum connectivity Gourava indices for PLL-Dendrimer. Gourava Indices have found applications in Quantitative Structure-Property Relationship (QSPR)/ Quantitative Structure-Activity Relationship (QSAR) studies.

Keywords: connectivity Gourava indices, dendrimer, Gourava indices, hyper GouravaG indices

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Authors: Iftikhar Ahmad, Mohammad Islam

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Thermally exfoliated graphene nanomaterial was reinforced into Al2O3 ceramic and the nanocomposites were consolidated using rapid high-frequency induction heat sintering route. The resulting nanocomposites demonstrated higher mechanical properties due to efficient GNS incorporation and chemical interaction with the Al2O3 matrix grains. The enhancement in mechanical properties is attributed to (i) uniformly-dispersed GNS in the consolidated structure (ii) ability of GNS to decorate Al2O3 nanoparticles and (iii) strong GNS/Al2O3 chemical interaction during colloidal mixing and pullout/crack bridging toughening mechanisms during mechanical testing. The GNS/Al2O3 interaction during different processing stages was thoroughly examined by thermal and structural investigation of the interfacial area. The formation of an intermediate aluminum oxycarbide phase (Al2OC) via a confined carbothermal reduction reaction at the GNS/Al2O3 interface was observed using advanced electron microscopes. The GNS surface roughness improves GNS/Al2O3 mechanical locking and chemical compatibility. The sturdy interface phase facilitates efficient load transfer and delayed failure through impediment of crack propagation. The resulting nanocomposites, therefore, offer superior toughness.

Keywords: ceramics, nanocomposites, interfaces, nanostructures, electron microscopy, Al2O3

Procedia PDF Downloads 341

Authors: Hernandez Pardo Diego F., Guiza Arguello Viviana R., Coy Echeverria Ana, Viejo Abrante Fernando

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The biological hydroxyapatite obtained from bovine bone arouses great interest in its application as a material for bone regeneration due to its better bioactive behavior in comparison with synthetic hydroxyapatite. For this reason, the objective of the present investigation was to determine the effect of chemical and thermal treatments in obtaining biological bovine hydroxyapatite of high purity and crystallinity. Two different chemical reagents were evaluated (NaOH and HCl) with the aim to remove the organic matrix of the bovine cortical bone. On the other hand, for analyzing the effect of thermal treatment temperature was ranged between 500 and 1000°C for a holding time of 4 hours. To accomplish the above, the materials before and after the chemical and thermal treatments were characterized by elemental compositional analysis (CHN), infrared spectroscopy by Fourier transform (FTIR), RAMAN spectroscopy, scanning electron microscopy (SEM), thermogravimetric analysis (TGA) and X-ray diffraction (XRD) and energy dispersion X-ray spectroscopy (EDS). The results allowed to establish that NaOH is more effective in the removal of the organic matrix of the bone when compared to HCl, whereas a thermal treatment at 700ºC for 4 hours was enough to obtain biological hydroxyapatite of high purity and crystallinity.

Keywords: bovine bone, hydroxyapatite, biomaterials, thermal treatment

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Authors: Insaf Mehani, Bachir Bouchekima

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The fight against climate change and the replacement of fossil energies nearing exhaustion gradually emerge as major societal and economic challenges. It is possible to develop common dates of low commercial value, and put on the local and international market a new generation of products with high added values such as bio ethanol. Besides its use in chemical synthesis, bio ethanol can be blended with gasoline to produce a clean fuel while improving the octane.

Keywords: bio-energy, waste dates, bio ethanol, Algeria

Procedia PDF Downloads 344

Authors: G. E. Gandomkar, E. Bekhradinassab, S. Sabbaghi, M. M. Zerafat

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The reduction of water content in crude oil emulsions reduces pipeline corrosion potential and increases the productivity. Chemical emulsification of crude oil emulsions is one of the methods available to reduce the water content. Presence of demulsifier causes the film layer between the crude oil emulsion and water droplets to become unstable leading to the acceleration of water coalescence. This research has been performed to study the improvement performance of a chemical demulsifier by silica nanoparticles. The silica nano-particles have been synthesized by sol-gel technique and precipitation using poly vinyl alcohol (PVA) and poly ethylene glycol (PEG) as surfactants and then nano-particles are added to the demulsifier. The silica nanoparticles were characterized by Particle Size Analyzer (PSA) and SEM. Upon the addition of nanoparticles, bottle tests have been carried out to separate and measure the water content. The results show that silica nano-particles increase the demulsifier efficiency by about 40%.

Keywords: demulsifier, dehydration, silicon dioxide, nanoparticle

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Authors: S. N. Turkmen, A. S. Kipcak, N. Tugrul, E. M. Derun, S. Piskin

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Activated carbon is an amorphous carbon chain which has extremely extended surface area. High surface area of activated carbon is due to the porous structure. Activated carbon, using a variety of materials such as coal and cellulosic materials; can be obtained by both physical and chemical methods. The prepared activated carbon can be used for decolorize, deodorize and also can be used for removal of organic and non-organic pollution. In this study, pomegranate peel was subjected to 800W microwave power for 1 to 4 minutes. Also fresh pomegranate peel was used for the reference material. Then ZnCl2 was used for the chemical activation purpose. After the activation process, activated pomegranate peels were used for the adsorption of Zn metal (40 ppm) in the waste water. As a result of the adsorption experiments, removal of heavy metals ranged from 89% to 85%.

Keywords: activated carbon, adsorption, chemical activation, microwave, pomegranate peel

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Authors: M. B. Mshelia, J. K. Balogun, J. Auta, N. O. Bankole

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Studies on some aspects of the physico-chemical parameters of Jebba Lake, Niger State, Nigeria was carried out from January to December, 2011. The aim was to investigate some of the physico-chemical parameters relevant to life and health of fish in the water body. Six (6) sampling sites were selected at random which covered Northern (Faku and Awuru), middle (Old Gbajibo and Shankade) and southern zones (New Gbajibo and Jebba dam} of Jebba Lake. Sampling was carried out for the period of 12 Months. The Physico-chemical parameters that were considered were water temperature, pH, dissolved oxygen, electrical conductivity, water transparency, phosphate and nitrate. They were all measured using standard methods. The results showed that water temperature values ranged between 26.06 ± 0.15a in Jebba lake site to 27.34 ± 0.12b in Shankade sampling site, depth varied from 8.08m to 31.64m, water current was between 20.10.62 cm/sec and 26.46 cm/sec, Secchi disc transparency ranged from0.46±0.01 m in New Gbajibo, while the highest mean value was 0.53 ± 0.04 m in Jebba dam., pH varied from 6.49 ± 0.01 and 7.59,5.35±0.03a mg/l in New Gbajibo and 6.75 ± 0.03 mg/l in Faku.The dissolved oxygen varied between 5.35±0.03a mg/l in New Gbajibo and 6.75 ± 0.03 mg/l in Faku.,The mean conductivity value was highest in Faku and Jebba with 128.8 ± 0.32 and 128.8 ± 0.42homs/cm) respectively, Alkalinity ranged 43.00±0.02 to33.30±0.32 mg/l., The nitrate-nitrogen range (2.37 ± 0.08 – 6.40 ± 0.50mg/l)., The mean values of phosphate-phosphorus (PO4-P) recorded varied between 0.18 ± 0.00 mg/l in Faku to 0.47 + 0.10 mg/l in Old Gbajibo.The highest mean value for total dissolved solids was 57.88 ± 0.28 mg/l in Shankade, while the lowest mean value of 39.17 ± 0.42 mg/l was recorded in Faku. Free CO2 ranged from 1.75 mg/l to 2.94 mg/l, Biochemical oxygen demand (BOD) was between 4.25 mg/l and 5.41 mg/l and nitrate-nitrogen concentration was between 2.37 mg/l and 6.40 mg/l. There were significant differences (P < 0.05) between these parameters in relation to stations. Generally, the physico-chemical characteristics of Lake Jebba were within the productive values for aquatic systems, and strongly indicate that the lake is unpolluted.

Keywords: Jebba Lake, water quality, secchi disc, DO meter, sampling sites, physico-chemical parameters

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Authors: Z. Mahmood, F. U. Babar, S. Naz, H. U. Rehman

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Cadmium Sulphide (CdS) was deposited on a Tec 15 glass substrate with the help of CBD (chemical bath deposition process) and then cadmium telluride CdTe was deposited on CdS with the help of CSS (closed spaced sublimation technique) for the construction of a solar cell. The thicknesses of all the deposited materials were measured with the help of Ellipsometry. The IV graphs were drawn in order to observe the current voltage output. The efficiency of the cell was graphed with the fill factor as well (graphs not given here). The efficiency came out to be approximately 16.5 % and the CIGS (copper-indium–gallium-selenide) maximum efficiency is 20 %. The efficiency of a solar cell can further be enhanced by adapting quality materials, good experimental devices and proper procedures. The grain size was analyzed with the help of scanning electron microscope using RBS (Rutherford backscattering spectroscopy).

Keywords: Chemical Bath Deposition Technique (CBD), cadmium sulphide (CdS), CdTe, CSS (Closed Space Sublimation)

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Authors: Lucja Rodzik, Joanna Lewandowska-Lancucka, Michal Szuwarzynski, Krzysztof Szczubialka, Maria Nowakowska

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The analysis of nucleobases is of great importance for bioscience since their abnormal concentration in body fluids suggests the deficiency and mutation of the immune system, and it is considered to be an important parameter for diagnosis of various diseases. The presented conjugate meets the need for development of the effective, selective and highly sensitive sensor for nucleobase/nucleoside detection. The novel, highly fluorescent cadmium telluride quantum dots (CdTe QDs) functionalized with thymine and stabilized with thioglycolic acid (TGA) conjugates has been developed and thoroughly characterized. Successful formation of the material was confirmed by elemental analysis, and UV–Vis fluorescence and FTIR spectroscopies. The crystalline structure of the obtained product was characterized with X-ray diffraction (XRD) method. The composition of CdTe QDs and their thymine conjugate was also examined using X-ray photoelectron spectroscopy (XPS). The size of the CdTe-thymine was 3-6 nm as demonstrated using atomic force microscopy (AFM) and high resolution transmission electron microscopy (HRTEM) imaging. The plasmon resonance fluorescence band at 540 nm on excitation at 351 nm was observed for these nanoparticles. The intensity of this band increased with the increase in the amount of conjugated thymine with no shift in its position. Based on the fluorescence measurements, it was found that the CdTe-thymine conjugate interacted efficiently and selectively not only with adenine, a nucleobase complementary to thymine, but also with nucleosides and adenine-containing modified nucleosides, i.e., 5′-deoxy-5′-(methylthio)adenosine (MTA) and 2’-O-methyladenosine, the urinary tumor markers which allow monitoring of the disease progression. The applicability of the CdTe-thymine sensor for the real sample analysis was also investigated in simulated urine conditions. High sensitivity and selectivity of CdTe-thymine fluorescence towards adenine, adenosine and modified adenosine suggest that obtained conjugate can be potentially useful for development of the biosensor for complementary nucleobase/nucleoside detection.

Keywords: CdTe quantum dots, conjugate, sensor, thymine

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Authors: Meha Alouini, Wissem Mnif, Yasmine Souissi

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This work will be conducted within the framework of the environmental sustainable development. It involves waste recovering into biodiesel fuel. Low cost feedstocks such as waste of frying oil and animal fats have been utilized to replace refined vegetable oil for biodiesel production. Biodiesel which refers to fatty acid methyl esters (FAME) was carried out by both chemical and enzymatic reaction of transesterification. In order to compare the two studied reactions the obtained biodiesel was characterized by determining its esters content and its fuel properties according to the European standard EN 14214. It was noted that the chemical method gave the product with the best physical property. But the biological one was found more effective for obtaining important ester content. Thus it would be interesting to optimize the enzymatic pathway of production of biodiesel to obtain a better property of biodiesel.

Keywords: biodiesel, fatty acid methyl esters, transesterification, waste frying oil, waste beef fat

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Authors: K. A. Kemelov, Z. K. Maymekov, D. A. Sambaeva, W. Frenzel

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Benzo(a)pyrene is widespread carcinogenic and mutagenic environmental pollutant, which is formed in combustion processes of carbonaceous materials at high temperature and still health safety problem related benz(a)pyrene continues to remain actual. At the moment the mechanisms of formation of benzo(a)pyrene are not studied in detail, there is not concrete certain full scheme of synthesis of benzo(a)pyrene. Studies in this area are mainly dedicated to development of measuring tools and chemical reactions analyzes, or to obtain specific evidence of a large group of polycyclic aromatic hydrocarbons (PAHs). Consequently in this study we try to create physical and chemical model of oxidation and thermo destruction processes of benzo(a)pyrene, using critical thermodynamical parameters in order to estimate theoretical derivatives of benzo(a)pyrene and which conditions benzo(a)pyrene degraded into more harmful substances. According to this physical and chemical modeling of thermal destruction process of benzo(a)pyrene in wide ranges of change of temperature value were calculated. C20H12 - H2O-O2 system was taken for modeling of thermal destruction process of benzo(a)pyrene in order to establish distribution range of equilibrium structures and concentrations of molecules in a gas phase. Also technological ways of reduction of concentration of benzo(a)pyrene in a gas phase were supposed.

Keywords: benzo(a)pyrene, emission, PAH, thermodynamic parameters

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Authors: Karolina Ordon, Sandrine Coste, Malgorzata Makowska-Janusik, Abdelhadi Kassiba

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Photocatalytic processes play key role in the production of a new source of energy (as hydrogen), design of self-cleaning surfaces or for the environment preservation. The most challenging task deals with the purification of water distinguished by high efficiency. In the mentioned process, organic pollutants in solutions are decomposed to the simple, non-toxic compounds as H2O and CO2. The most known photocatalytic materials are ZnO, CdS and TiO2 semiconductors with a particular involvement of TiO2 as an efficient photocatalysts even with a high band gap equal to 3.2 eV which exploit only UV radiation from solar emitted spectrum. However, promising material with visible light induced photoactivity was searched through the monoclinic polytype of BiVO4 which has energy gap about 2.4 eV. As required in heterogeneous photocatalysis, the high contact surface is required. Also, BiVO4 as photocatalyst can be optimized by increasing its surface area by achieving the mesoporous structure synthesize. The main goal of the present work consists in the synthesis and characterization of BiVO4 mesoporous thin film. The synthesis method based on sol-gel was carried out using a standard surfactants such as P123 and F127. The thin film was deposited by spin and dip coating method. Then, the structural analysis of the obtained material was performed thanks to X-ray diffraction (XRD) and Raman spectroscopy. The surface of resulting structure was investigated using a scanning electron microscopy (SEM). The computer simulations based on modeling the optical and electronic properties of bulk BiVO4 by using DFT (density functional theory) methodology were carried out. The semiempirical parameterized method PM6 was used to compute the physical properties of BiVO4 nanostructures. The Raman and IR absorption spectra were also measured for synthesized mesoporous material, and the results were compared with the theoretical predictions. The simulations of nanostructured BiVO4 have pointed out the occurrence of quantum confinement for nanosized clusters leading to widening of the band gap. This result overcame the relevance of nanosized objects to harvest wide part of the solar spectrum. Also, a balance was searched experimentally through the mesoporous nature of the films devoted to enhancing the contact surface as required for heterogeneous catalysis without to lower the nanocrystallite size under some critical sizes inducing an increased band gap. The present contribution will discuss the relevant features of the mesoporous films with respect to their photocatalytic responses.

Keywords: bismuth vanadate, photocatalysis, thin film, quantum-chemical calculations

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Authors: Subhojyoti Chatterjee, Peter J. Mahon, Feng Wang

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Resveratrol (RvL), a phenolic compound, is a key ingredient in wine and tomatoes that has been studied over the years because of its important bioactivities such as anti-oxidant, anti-aging and antimicrobial properties. Out of the two isomeric forms of resveratrol i.e. trans and cis, the health benefit is primarily associated with the trans form. Thus, studying the structural properties of the isomers will not only provide an insight into understanding the RvL isomers, but will also help in designing parameters for differentiation in order to achieve 99.9% purity of trans-RvL. In the present study, density function theory (DFT) study is conducted, using the B3LYP/6-311++G** model to explore the through bond and through space intramolecular interactions. Properties such as vibrational spectroscopy (IR and Raman), nuclear magnetic resonance (NMR) spectra, excess orbital energy spectrum (EOES), energy based decomposition analyses (EDA) and Fukui function are calculated. It is discovered that the structure of trans-RvL, although it is C1 non-planar, the backbone non-H atoms are nearly in the same plane; whereas the cis-RvL consists of two major planes of R1 and R2 that are not in the same plane. The absence of planarity gives rise to a H-bond of 2.67Å in cis-RvL. Rotation of the C(5)-C(8) single bond in trans-RvL produces higher energy barriers since it may break the (planar) entire conjugated structure; while such rotation in cis-RvL produces multiple minima and maxima depending on the positions of the rings. The calculated FT-IR spectrum shows very different spectral features for trans and cis-RvL in the region 900 – 1500 cm-1, where the spectral peaks at 1138-1158 cm-1 are split in cis-RvL compared to a single peak at 1165 cm-1 in trans-RvL. In the Raman spectra, there is significant enhancement of cis-RvL in the region above 3000cm-1. Further, the carbon chemical environment (13C NMR) of the RvL molecule exhibit a larger chemical shift for cis-RvL compared to trans-RvL (Δδ = 8.18 ppm) for the carbon atom C(11), indicating that the chemical environment of the C group in cis-RvL is more diverse than its other isomer. The energy gap between highest occupied molecular orbital (HOMO) and the lowest occupied molecular orbital (LUMO) is 3.95 eV for trans and 4.35 eV for cis-RvL. A more detailed inspection using the recently developed EOES revealed that most of the large energy differences i.e. Δεcis-trans > ±0.30 eV, in their orbitals are contributed from the outer valence shell. They are MO60 (HOMO), MO52-55 and MO46. The active sites that has been captured by Fukui function (f + > 0.08) are associated with the stilbene C=C bond of RvL and cis-RvL is more active at these sites than in trans-RvL, as cis orientation breaks the large conjugation of trans-RvL so that the hydroxyl oxygen’s are more active in cis-RvL. Finally, EDA highlights the interaction energy (ΔEInt) of the phenolic compound, where trans is preferred over the cis-RvL (ΔΔEi = -4.35 kcal.mol-1) isomer. Thus, these quantum mechanics results could help in unwinding the diversified beneficial activities associated with resveratrol.

Keywords: resveratrol, FT-IR, Raman, NMR, excess orbital energy spectrum, energy decomposition analysis, Fukui function

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Authors: David C. Ni

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The current efforts for Grand Unification Theory (GUT) can be classified into General Relativity, Quantum Mechanics, String Theory and the related formalisms. In the geometric approaches for extending General Relativity, the efforts are establishing global and local invariance embedded into metric formalisms, thereby additional dimensions are constructed for unifying canonical formulations, such as Hamiltonian and Lagrangian formulations. The approaches of extending Quantum Mechanics adopt symmetry principle to formulate algebra-group theories, which evolved from Maxwell formulation to Yang-Mills non-abelian gauge formulation, and thereafter manifested the Standard model. This thread of efforts has been constructing super-symmetry for mapping fermion and boson as well as gluon and graviton. The efforts of String theory currently have been evolving to so-called gauge/gravity correspondence, particularly the equivalence between type IIB string theory compactified on AdS5 × S5 and N = 4 supersymmetric Yang-Mills theory. Other efforts are also adopting cross-breeding approaches of above three formalisms as well as competing formalisms, nevertheless, the related symmetries, dualities, and correspondences are outlined as principles and techniques even these terminologies are defined diversely and often generally coined as duality. In this paper, we firstly classify these dualities from the perspective of physics. Then examine the hierarchical structure of classes from mathematical perspective referring to Coleman-Mandula theorem, Hidden Local Symmetry, Groupoid-Categorization and others. Based on Fundamental Theorems of Algebra, we argue that rather imposing effective constraints on different algebras and the related extensions, which are mainly constructed by self-breeding or self-mapping methodologies for sustaining invariance, we propose a new addition, momentum-angular momentum duality at the level of electromagnetic duality, for rationalizing the duality algebras, and then characterize this duality numerically with attempt for addressing some unsolved problems in physics and astrophysics.

Keywords: general relativity, quantum mechanics, string theory, duality, symmetry, correspondence, algebra, momentum-angular-momentum

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Authors: Shoubhik Mandal, Debarghya Mallick, Abhishek Banerjee, R. Ganesan, P. S. Anil Kumar

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We report magnetotransport measurements in Bi₁Sb₁Te₁.₅Se₁.₅/RuCl₃ heterostructure nanodevices. Bi₁Sb₁Te₁.₅Se₁.₅ (BSTS) is a strong three-dimensional topological insulator (3D-TI) that hosts conducting topological surface states (TSS) enclosing an insulating bulk. α-RuCl₃ (namely, RuCl₃) is an anti-ferromagnet that is predicted to behave as a Kitaev-like quantum spin liquid carrying Majorana excitations. Temperature (T)-dependent resistivity measurements show the interplay between parallel bulk and surface transport channels. At T < 150 K, surface state transport dominates over bulk transport. Multi-channel weak anti-localization (WAL) is observed, as a sharp cusp in the magnetoconductivity, indicating strong spin-orbit coupling. The presence of top and bottom topological surface states (TSS), including a pair of electrically coupled Rashba surface states (RSS), are indicated. Non-linear Hall effect, explained by a two-band model, further supports this interpretation. Finally, a low-T logarithmic resistance upturn is analyzed using the Lu-Shen model, supporting the presence of gapless surface states with a π Berry phase.

Keywords: topological materials, electrical transport, Lu-Shen model, quantum spin liquid

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Authors: Zamouche Meriem, Mehcene Ismahan, Temmine Manel, Bencheikh Lehocine Mosaab, Meniai Abdeslam Hassen

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In this study, the adsorption of Malachite Green (MG) by chemical treated sewage sludge has been studied. The sewage sludge, collected from drying beds of the municipal wastewater treatment station of IBN ZIED, Constantine, Algeria, was treated by different acids such us HNO₃, H₂SO₄, H₃PO₄ for modifying its aptitude to removal the MG from aqueous solutions. The results obtained shows that the sewage sludge activated by sulfuric acid give the highest elimination amounts of MG (9.52 mg/L) compared by the other acids used. The effects of operation parameters have been investigated, the results obtained show that the adsorption capacity per unit of adsorbent mass decreases from 18.69 to 1.20 mg/g when the mass of the adsorbent increases from 0.25 to 4 g respectively, the optimum mass for which a maximum of elimination of the dye is equal to 0.5g. The increasing in the temperature of the solution results in a slight decrease in the adsorption capacity of the chemically treated sludge. The highest amount of dye adsorbed by CSSS (9.56 mg/g) was observed for the optimum temperature of 25°C. The chemical activated sewage sludge proved its effectiveness for the removal of the Red Congo (RC), but by comparison the adsorption of the two dyes studies, we noted that the sludge has more affinity to adsorb the (MG).

Keywords: adsorption, chemical activation, malachite green, sewage sludge

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Authors: Rabah Haoui

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Hypersonic flows around spatial vehicles during their reentry phase in planetary atmospheres are characterized by intense aerothermodynamics phenomena. The aim of this work is to analyze high temperature flows around an axisymmetric blunt body taking into account chemical and vibrational non-equilibrium for air mixture species and the no slip condition at the wall. For this purpose, the Navier-Stokes equations system is resolved by the finite volume methodology to determine the flow parameters around the axisymmetric blunt body especially at the stagnation point and in the boundary layer along the wall of the blunt body. The code allows the capture of shock wave before a blunt body placed in hypersonic free stream. The numerical technique uses the Flux Vector Splitting method of Van Leer. CFL coefficient and mesh size level are selected to ensure the numerical convergence.

Keywords: hypersonic flow, viscous flow, chemical kinetic, dissociation, finite volumes, frozen and non-equilibrium flow

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Authors: L. Belagraa, A. Belguendouz, Y. Rouabah, A. Bouzid, A. Noui, O. Kessal

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The use of cements CRS in aggressive environments showed a lot of benefits as like good mechanical responses and therefore better durability, however, their manufacturing consume a lot of clinker, which leads to the random hazardous deposits, the shortage of natural resources and the gas and the dust emissions mainly; (CO2) with its ecological negative impact on the environment. Technical, economic and environmental benefits by the use of blended cements have been reported and being considered as a research area of great interest. The purpose of this study is to evaluate the influence of the substitution of natural pozzolan on the physico-chemical properties of the new formulated binder and the mechanical behavior of mortar containing this binary cement. Hence, the pozzolan replacement is composed with different proportions (0%, 2.5%, 5%, 7.5% and 10%). The physico-chemical properties of cement resistant to sulfate (CRS) alternative composition were investigated. Further, the behavior of the mortars based on this binder is studied. These characteristics includes chemical composition, density and fineness, consistency, setting time, shrinkage, absorption and the mechanical response. The results obtained showed that the substitution of pozzolan at the optimal ratio of 5% has a positive effect on the resulting cement, greater specific surface area, reduced water demand, accelerating the process of hydration, a better mechanical responses and decreased absorption. Therefore, economic and ecological cement based on mineral addition like pozzolan could be possible as well as advantageous to the formulation of environmental mortars.

Keywords: Cement Resistant to Sulfate (CRS), environmental mortars mechanical response, physico-chemical properties, pozzolan

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Authors: R. Behrooz, D. Jahanfar, D. Reza

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Organic farming is a fundamental principle in sustainable agriculture. Preventing excessive contamination of water and soil with pesticides and chemical fertilizers is important in order to produce healthy food. For this purpose, two potato cultivars (Sante and Marfona) and seven levels of fertilizer (non-fertilizer, chemical fertilizer, granulated chicken manure, common manure, compost, vermicompost and tea compost) were evaluated by factorial experiment based on randomized complete block design (RCBD) with three replications. According to the results, the effect of different manure was significant on number of tubers per plant, tuber weight per plant and tuber yield. The highest value of these traits was obtained by using of chicken manure which was significantly superior to other treatments. However, there was no significant difference between the two varieties. According to the results, the use of chicken manure has produced the highest potato yield even in comparison with the use of chemical fertilizer.

Keywords: organic farming, organic manure, potato, tuber yield

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Authors: M. Nuhu, M. S. Amina, A. H. Aminu, A. J. Abbas, N. Salahudeen, A. Z. Yusuf

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Transesterification of jatropha methyl ester (JME) with the common polyol, trimethylolpropane (TMP) produced the TMP based ester which exhibits improved temperature properties. This paper discusses the physic-chemical properties of jatropha bio-lubricant base oil applicable for ISO VG32 and VG46 requirement. The catalyst employed for the JME was CaO synthesized in National Research Institute for Chemical Technology (NARICT) that gives 100% conversion. The molar ratio of JME to TMP was 3.5:1 and the catalyst (NaOCH3) loading were found to be 0.8% of the weight of the total reactants. The final fractionated jatropha bio-lubricant base was found to contain 11.95% monoesters, 43.89% diesters and 44.16% triesters (desired product). In addition, it was found that the bio-lubricant base oil produced is comparable to the ISO VG46 commercial standards for light and industrial gears applications and other plant based bio-lubricant.

Keywords: biodegradability, methyl ester, pour point, transesterification, viscosity index

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Authors: Alexey Mustafin

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This paper explores the complex interplay between materialism, spiritualism, dualism, and non-dualism in the context of both Western and Eastern philosophical traditions. The research question is centered around understanding the implications of these perspectives on our comprehension of reality. The study employs a comparative analysis of worldviews, scientific perspectives, and case studies to achieve its objectives. The theoretical framework examines the critiques of materialism, spiritualism, dualism, and non-dualism, synthesizing different perspectives. A comparative analysis of Western (Greek, Christian, and Enlightenment) and Eastern (Hinduism, Buddhism, and Taoism) philosophical traditions provides a holistic understanding of diverse worldviews. The study further investigates scientific perspectives, including classical physics, quantum physics, biology, neuroscience, and their implications on the understanding of reality. Case studies on near-death experiences, meditation, healing, and parapsychology serve as practical examples of the interplay between these perspectives. The synthesis of findings offers insights into the implications for our understanding of reality and highlights future directions for research in this interdisciplinary field.

Keywords: biocentrism, quantum physics, neurosciense and consciousness, meditation and brain, religion experiences and scientific research, buddhism and science

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Authors: Jonathan E. Oghenekohwo

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The return to scale constitutes a significant investment index in the determination of the quantum of resources that is deployed in investment decision on worker’s continuing professional development. Such investment decision is always predicted on the expected outcomes to the individual, institution and the society in context. Several investments in the development of human capacity on the job have been made, but the return to the scale of such seems not to have been correlated positively with the quantum of resources invested in terms of productivity and performance among workers in many universities. This paper thus found out that, despite the commitment and policy instrument to avail workers the right of continuing professional development, the multiplier effects are not evident in diligence, commitment, honesty, dedication, productivity and improved performance on the job among most administrative staff in Nigerian Universities This author, therefore concludes that, given the policy on the right of workers to get trained on-the job, the outcomes of such training must reflect on the overall performance indices, otherwise, institutions should carry out a forensic analysis of the types of continuing professional development programmes that workers participate in, whether or not, they are consistent with the vision and mission of the institutions in terms of economies of scale of workers professional development to the individual, institution and the nation in context.

Keywords: continuing, professional development, economies of scale, worker’s education, administrative staff

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Authors: Ho-Wa Li, Sai-Wing Tsang

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The excitonic effect in organic semiconductors plays a key role in determining the electronic devices performance. Strong exciton binding energy has been regarded as the detrimental factor limiting the further improvement in organic photovoltaic cells. To the best of our knowledge, only limited reported can be found in measuring the exciton binding energy in organic photovoltaic materials. Conventional sophisticated approach using photoemission spectroscopy (UPS and IPES) would limit the wide access of the investigation. Here, we demonstrate a facile approach to study the electrical and optical quantum efficiencies of a series of conjugated photovoltaic polymer, fullerene and non-fullerene materials. Quantitative values of the exciton binding energy in those prototypical materials were obtained with concise photovoltaic device structure. And the extracted binding energies have excellent agreement with those determined by the conventional photoemission technique. More importantly, our findings can provide valuable information on the excitonic dissociation in the first excited state. Particularly, we find that the high binding energy of some non-fullerene acceptors limits the combination of polymer acceptors for efficiency exciton dissociation. The results bring insight into the engineering of excitonic effect for the development of efficient organic photovoltaic cells.

Keywords: organic photovoltaics, quantum efficiency, exciton binding energy, device physics

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Authors: Md. Shah Alam

Abstract:

Mushfiq Ahmad has defined a Mixed Number, which is the sum of a scalar and a Cartesian vector. He has also defined the elementary group operations of Mixed numbers i.e. the norm of Mixed numbers, the product of two Mixed numbers, the identity element and the inverse. It has been observed that Mixed Number is consistent with Pauli matrix algebra and a handy tool to work with Dirac electron theory. Its use as a mathematical method in Physics has been studied. (1) We have applied Mixed number in Quantum Mechanics: Mixed Number version of Displacement operator, Vector differential operator, and Angular momentum operator has been developed. Mixed Number method has also been applied to Klein-Gordon equation. (2) We have applied Mixed number in Electrodynamics: Mixed Number version of Maxwell’s equation, the Electric and Magnetic field quantities and Lorentz Force has been found. (3) An associative transformation of Mixed Number numbers fulfilling Lorentz invariance requirement is developed. (4) We have applied Mixed number algebra as an extension of Complex number. Mixed numbers and the Quaternions have isomorphic correspondence, but they are different in algebraic details. The multiplication of unit Mixed number and the multiplication of unit Quaternions are different. Since Mixed Number has properties similar to those of Pauli matrix algebra, Mixed Number algebra is a more convenient tool to deal with Dirac equation.

Keywords: mixed number, special relativity, quantum mechanics, electrodynamics, pauli matrix

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Authors: Sasan Ghafaribijar, Javad Hakimi, Mohsen Arvin, Peyman Tahernezhad

Abstract:

The Lar Igneous Suite (LIS), east of Iran, is part of post collisional alkaline magmatism related to Late Cretaceous- mid Eocene Sistan suture zone. The suite consists of a wide variety of igneous rocks, from volcanic to intrusive and hypabissal rocks such as tuffs, trachyte, monzonite, syenites and lamprophyres. Syenitic rocks which mainly occur in a giant ring dike and stocks, are shoshonitic to potassic-ultrapotassic (K₂O/Na₂O > 2 wt.%; MgO > 3 wt.%; K₂O > 3 wt.%) in composition and are also associated with Cu-Mo mineralization. In this study, chemical composition of biotites within the Lar syenites (LS) is determined by electron microprobe analysis. The results show that LS biotites are Ti-Mg-biotites (phlogopite) which contain relatively high Ti and Mg, and low Fe concentrations. The Mg/(Fe²⁺+ Mg) ratio in these biotites range between 0.56 and 0.73 that represent their transitionally chemical evolution. TiO₂ content in these biotites is high and in the range of 3.0-5.4 wt.%. These chemical characteristics indicate that the LS biotites are primary and have been crystallized directly from magma. The investigations also demonstrate that the LS biotites have crystallized from a magma of orogenic nature. Temperature and pressure are the most significant factors controlling Mg and Ti content in the LS biotites, respectively. The results show that the LS biotites crystallized at temperatures (T) between 800 to 842 °C and pressures (P) between 0.99 to 1.44 kbar. These conditions are indicative of a crystallization depth of 3.26-4.74 km.

Keywords: sistan suture zone, Lar Igneous Suite, zahedan, syenite, biotite

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Authors: Dina A. Selim, Eman Shawky, Rasha M. Abu El-Khair

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In the current study, UPLC-MS/MS combined to chemometrics were applied on seven Sri Lankan tea grades; Orange Pekoe, Flowery Pekoe, Broken Orange Pekoe Fannings, Broken Orange Pekoe black tea, green tea, silver tips and golden tips white tea grades for their comprehensive metabolic profiling. Certain metabolites, namely, Theasensinin C and E, theaflavin and theacitrin appeared to be the main chemical markers of black tea type, catechin, epicatechin, epigallocatechin, methyl epigallocatechin were the main discriminatory markers of green tea type, while theanine, oolongotheanine and quercetin glycosides were the main chemical markers of white tea type. Theogalloflavin, epigallocatechin and flavonoid glycosides were the main down-accumulated metabolites while theaflavin gallate, and N-ethyl pyrrolidinone epicatechin were the chief up- accumulated metabolites between whole and broken black tea leave grades while puerin A and C and gallic acid was the main down- accumulated metabolites and N-ethyl pyrrolidinone epicatechin gallate was the main up-accumulated one between broken and fanning black tea grades.

Keywords: tea grading, Sri Lankan tea, chemometrics, metabolomics, chemical markers

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Authors: Elias Akoury

Abstract:

Nuclear Magnetic Resonance (NMR) spectroscopy is an indispensable technique used in structure determination of small and macromolecules to study their physical properties, elucidation of characteristic interactions, dynamics and thermodynamic processes. Quantum mechanics defines the theoretical description of NMR spectroscopy and treatment of the dynamics of nuclear spin systems. The phenomenon of residual dipolar coupling (RDCs) has become a routine tool for accurate structure determination by providing global orientation information of magnetic dipole-dipole interaction vectors within a common reference frame. This offers accessibility of distance-independent angular information and insights to local relaxation. The measurement of RDCs requires an anisotropic orientation medium for the molecules to partially align along the magnetic field. This can be achieved by introduction of liquid crystals or attaching a paramagnetic center. Although anisotropic paramagnetic tags continue to mark achievements in the biomolecular NMR of large proteins, its application in small organic molecules remains unspread. Here, we propose a strategy for the synthesis of a lanthanide tag and the measurement of RDCs in organic molecules using paramagnetic lanthanide complexes.

Keywords: lanthanide tags, NMR spectroscopy, residual dipolar coupling, quantum mechanics of spin dynamics

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Authors: Hen Friman, Alex Schechter, Yeshayahu Nitzan, Rivka Cahan

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The treatment of aromatic hydrocarbons in wastewater resulting from oil spills and chemical manufactories is becoming a key concern in many modern countries. Benzene, ethylbenzene, toluene and xylene (BETX) contaminate groundwater as well as soil. These compounds have an acute effect on human health and are known to be carcinogenic. Conventional removal of these toxic materials involves separation and burning of the wastes, however, the cost of chemical treatment is very high and energy consuming. Bioremediation methods for removal of toxic organic compounds constitute an attractive alternative to the conventional chemical or physical techniques. Bioremediation methods use microorganisms to reduce the concentration and toxicity of various chemical pollutants Toluene is biodegradable both aerobically and anaerobically, it can be growth inhibitory to microorganisms at elevated concentrations, even to those species that can use it as a substrate. In this research culture of Pseudomonas putida was grown in bath bio-reactor (BBR) with toluene 100 mg/l as a single carbon source under constant voltage of 125 mV, 250 mV and 500 mV. The culture grown in BBR reached to 0.8 OD660nm while the control culture that grown without external voltage reached only to 0.6 OD660nm. The residual toluene concentration after 147 h, in the BBR operated under external voltage (125 mV) was 22 % on average, while in the control BBR it was 81 % on average.

Keywords: bioremediation, aromatic hydrocarbons, BETX, toluene, pseudomonas putida

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