structure investigations
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Crystals ◽  
2021 ◽  
Vol 11 (12) ◽  
pp. 1500
Author(s):  
Ihab Shawish ◽  
Saied M. Soliman ◽  
Matti Haukka ◽  
Ali Dalbahi ◽  
Assem Barakat ◽  
...  

In this work, we synthesized two new s-triazine incorporates pyrazole/piperidine/aniline moieties. Molecular structure investigations in the light of X-ray crystallography combined with Hirshfeld and DFT calculations were presented. Intermolecular interactions controlling the molecular packing of 4-(3,5-dimethyl-1H-pyrazol-1-yl)-N-phenyl-6-(piperidin-1-yl)-1,3,5-triazin-2-amine; 5a and N-(4-bromophenyl)-4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(piperidin-1-yl)-1,3,5-triazin-2-amine; 5b were analyzed using Hirshfeld calculations. The most dominant interactions are the H...H, N...H and H...C contacts in both compounds. The N...H and H...C interactions in 5a and the N...H, Br...H and H...H interactions in 5b are the most important. In addition, DFT calculations were used to compute the molecular structures of 5a and 5b; then, their electronic properties, as well as the 1H- and 13C-NMR spectra, were predicted. Both compounds are polar where 5a (1.018 Debye) has lower dipole moment than 5b (4.249 Debye). The NMR chemical shifts were calculated and very good correlations between the calculated and experimental data were obtained (R2 = 0.938–0.997).


Materials ◽  
2021 ◽  
Vol 14 (23) ◽  
pp. 7365
Author(s):  
Paweł Skoczylas ◽  
Mieczysław Kaczorowski

The results of structure and mechanical property investigations of tungsten heavy alloy (THA) with small additions of rhenium powder are presented. The material for the study was prepared using liquid phase sintering (LPS) of mixed and compacted powders in a hydrogen atmosphere. From the specimens, the samples for mechanical testing and structure investigations were prepared. It follows from the results of the microstructure observations and mechanical studies, that the addition of rhenium led to tungsten grain size decreasing and influencing the mechanical properties of W-Ni-Fe-Co base heavy alloy.


Materials ◽  
2021 ◽  
Vol 14 (22) ◽  
pp. 6889
Author(s):  
Małgorzata Sikora

This article presents the results of flow visualization studies of Novec refrigerants during condensation in minichannels. Experimental investigation of two-phase flow regimes was conducted in minichannels with internal diameter dh = 2.5, 2.0, 1.2, and 0.5 mm. Images of the two-phase flow structures were analyzed by using the MATLAB algorithm. To calculate void fraction, a two-dimensional areal quantitative stereology technique was used. Observation of flow structures formed during the process of condensation was the major aim of the investigations. The condensation studies were conducted over a wide range of mass flux densities (G = 80–5500 kg/m2s) and saturation temperatures (ts = 30–70 °C). Visualization results and image analysis methods are described in this paper. Based on the experimental results, a flow structure map was constructed and presented.


Materials ◽  
2021 ◽  
Vol 14 (16) ◽  
pp. 4349
Author(s):  
Tomasz Wojdat ◽  
Paweł Kustroń ◽  
Karol Jaśkiewicz ◽  
Jarosław Pabian

The purpose of the work was to test the welded joints of aluminum alloys EN AW-7075 and EN AW-6082, which are used to join individual structural elements of car bodies, e.g., B-pillar with the body. The joints were made using the low-energy cold metal transfer (CMT) arc welding method. The results of the structure investigations of lap and butt joints, as well as tests of mechanical properties are presented. The influence of linear energy and the way of arranging materials in lap joints on the possibility of hot cracks occurrence has been demonstrated. The shear strength of lap joints was equal to 150 MPa, while the tensile strength of butt joints was equal to 375 MPa. The highest hardness reduction was observed in the heat affected zone (HAZ) from the EN AW-7075 alloy side in the range of 98 to 138 HV 0.05. In addition, a significant reduction of the corrosion resistance in the transition zone between HAZ and the base material (EN AW-7075 alloy) in the medium salinity environment, corresponding to the sea conditions according to ASTM G85 was indicated.


2021 ◽  
Vol 234 ◽  
pp. 109271
Author(s):  
Marco Klein ◽  
Günther F. Clauss ◽  
Norbert Hoffmann

Author(s):  
Ashok Kumar Yadav ◽  
Sangita Pal ◽  
Sambhu Nath Jha ◽  
Dibyendu Bhattacharyya ◽  
Asis K. Adak ◽  
...  

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Robert Christie ◽  
Adrian Abel

Abstract Disazoacetoacetanilide pigments, more commonly known as diarylide yellows, are the most important group of yellow classical organic pigments. They were commercialized in the early 20th century many years after the introduction of the structurally related monazoacetoacetanilides (Hansa yellows). The molecules adopt the bis-ketohydrazone tautomeric form. X-ray single crystal structure investigations have provided an insight into the influence of the molecular geometry and crystal packing arrangements in the solid state on the properties of the pigments in application. The synthesis of diarylide pigments is relatively straightforward, the conditions essentially following those used for the corresponding monoazo pigments, so that the products are economically priced. In the case of these disazo pigments, suitable aromatic amines (1 mol) are bis-diazotized and the resulting bis-diazonium salts reacted with acetoacetanilide coupling components (2 mol), the two azo coupling reactions occurring at the same time. They are by far the dominant group of yellow pigments used in printing inks, well-suited for most standard process yellow inks. They were formerly important in the coloration of plastics but are no longer recommended for polymers processed above 200 °C, under which conditions toxic decomposition products are formed. Diarylide yellow pigments are characterized by high color strength, good to excellent solvent fastness, and good chemical stability, although they generally show inferior lightfastness.


2021 ◽  
pp. 126223
Author(s):  
H. Arima-Osonoi ◽  
K. Yamazaki ◽  
R. Simura ◽  
T. Sugawara ◽  
K. Yubuta ◽  
...  

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