Modeling of dowel action for cast-in and post-installed anchors considering bond property

2021 ◽  
Vol 245 ◽  
pp. 112773
Author(s):  
Kenya Matsunaga ◽  
Yuya Takase ◽  
Takahide Abe
Keyword(s):  
Inorganics ◽  
2018 ◽  
Vol 6 (3) ◽  
pp. 76 ◽  
Author(s):  
Yasunobu Egawa ◽  
Chihiro Fukumoto ◽  
Koichiro Mikami ◽  
Nobuhiro Takeda ◽  
Masafumi Unno

Carboxylic acid chlorides are useful substrates in organic chemistry. Many germanium analogues of carboxylic acid chloride have been synthesized so far. Nevertheless, all of the reported germathioacid chlorides use bidentate nitrogen ligands and contain germanium-nitrogen bonds. Our group synthesized germathioacid chloride, Ge(S)Cl{C6H3-2,6-Tip2}(Im-i-Pr2Me2), using N-heterocyclic carbene (Im-i-Pr2Me2). As a result of density functional theory (DFT) calculation, it was found that electrons are localized on sulfur, and the germanium-sulfur bond is a single bond with a slight double bond property.


1982 ◽  
Vol 108 (5) ◽  
pp. 1106-1123
Author(s):  
Rafael Jimenez ◽  
Richard N. White ◽  
Peter Gergely

2012 ◽  
Vol 10 (8) ◽  
pp. 264-277 ◽  
Author(s):  
Ali Reza Moradi ◽  
Masoud Soltani ◽  
Abbas Ali Tasnimi

2018 ◽  
Vol 32 (32) ◽  
pp. 1850391 ◽  
Author(s):  
Tao Zhang

It is of great significance to explore changing behavior and adjustment method of the refractive index. Expression of the refractive index, which was derived from the electron-cloud conductor model, contains the equivalent volume V of the electron clouds and the molecular density [Formula: see text]. The expression shows that the refractive index increases with V and [Formula: see text]. Based on this expression, main factors influencing the refractive index of solid medium are analyzed and summarized: the Nephelauxetic Effect, number of bonding electrons in the molecule, chemical bond property, number of nonbonding electrons in outermost layer of the molecule, and molecular density of the medium (electromagnetic wave factor is not considered). The relationship between the refractive index and the Nephelauxetic Effect is established. The calculations show that the Nephelauxetic Effect helps to increase the refractive index. Some viewpoints related to the Nephelauxetic Effect are supplemented. Characteristics of the solid medium that has a high refractive index are proposed: (1) Covalent bond component is high, and number of covalent bonds in one molecule is large. (2) Periodic number is as large as possible without increasing the ionic bond component. (3) Molecular density is high. According to these characteristics, method of adjusting the refractive index is discussed, and the results are consistent with the real situations.


2018 ◽  
Vol 78 (10) ◽  
pp. 2171-2182 ◽  
Author(s):  
Runhua Chen ◽  
Ping Wang ◽  
Meng Li ◽  
Fei Tian ◽  
Jiangjun Xiao ◽  
...  

Abstract In this study, a novel method based on the magnetic Fe/C crosslinked nanoparticles (MNZVI/CNTs-OH) is reported for the effective removal of Cr(VI) in aqueous solutions. Parameters that influence the effectiveness of the nanoparticles, such as pH, temperature, reaction time, and particle dosage, was analyzed. It was found that MNZVI/CNTs-OH particles exhibit significantly higher activity toward Cr(VI) removal than bare NZVI, carbon nanotubes (CNTs), and other synthetic nanomaterials. Under optimized conditions, the removal efficiency of Cr(VI) by MNZVI/CNTs-OH is up to 98% with an initial contaminant concentration of 50 mg/L, and chromium content in the residue up to 48 mg/g. Physical characterizations, including Fourier transform infrared (FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM), and TG-TD measurements, provide insights into the working mechanism of Cr(VI) purification. Our findings suggest that immobilization of MNZVI onto carbon nanotubes increase the covalent bond property, while crosslinked nanoparticles (NPs) provide the electron transfer passage from the NZVI surface and improves the dispersity of the MNZVI, thus enhancing the performance. These results demonstrate the potential of the MNZVI/CNTs-OH nanoparticles for the rapid and efficient treatment of Cr(VI)-containing wastewater.


Catalysts ◽  
2021 ◽  
Vol 11 (11) ◽  
pp. 1356
Author(s):  
Tian Liu ◽  
Zhangyong Liu ◽  
Lipeng Tang ◽  
Jun Li ◽  
Zhuhong Yang

In this work, we study the trans influence of boryl ligands and other commonly used non-boryl ligands in order to search for a more active catalyst than the ruthenium dihydride complex Ru(PNP)(CO)H2 for the hydrogenation of CO2. The theoretical calculation results show that only the B ligands exhibit a stronger trans influence than the hydride ligand and are along increasing order of trans influence as follows: –H < –BBr2 < –BCl2 ≈ –B(OCH)2 < –Bcat < –B(OCH2)2 ≈ –B(OH)2 < –Bpin < –B(NHCH2)2 < –B(OCH3)2 < –B(CH3)2 < –BH2. The computed activation free energy for the direct hydride addition to CO2 and the NBO analysis of the property of the Ru–H bond indicate that the activity of the hydride can be enhanced by the strong trans influence of the B ligands through the change in the Ru–H bond property. The function of the strong trans influence of B ligands is to decrease the d orbital component of Ru in the Ru–H bond. The design of a more active catalyst than the Ru(PNP)(CO)H2 complex is possible.


2019 ◽  
Vol 30 (0) ◽  
pp. 35-43
Author(s):  
Yukie Okuyama ◽  
Yuya Takase ◽  
Takahide Abe ◽  
Takeshi Hiwatashi

1980 ◽  
Vol 106 (6) ◽  
pp. 1263-1277
Author(s):  
Mahmoud A. Reda Youssef ◽  
Alfred G. Bishara
Keyword(s):  

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