Electrochemical synthesis of niobium(V) ethylate

Berezkin, M. Yu.; Chernykh, I. N.; Polyakov, E. G.; Томилов, А. П.

doi:10.1134/s1070427206050090

Cited by 8 publications

(6 citation statements)

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“…Last but not least of this part, for describing a radical polymerization, it is necessary to make a comparison of the polymerization kinetics of the present algorithm with our previous model [21,22] or other similar models in which a constant reaction probability was adopted. [4][5][6][7][8][9][10][11][12][13][14][15][16] To avoid ambiguities, we define the constant reaction probability in the latter as P c r here. In our previous model, for any specific short period t 0 during the chain propagation, the change of monomer concentration is…”

Section: Reaction Kineticsmentioning

confidence: 99%

“…Within the capture radius, the bond formation in the second class in each step is not a certain event, instead it is probability-based. Genzer et al, [4,5] He and the coworkers, [6,7] Berezkin et al, [8][9][10][11] Lu et al, [12] Yong et al, [13,14] Jang, [15] and Mukherji et al, [16] including Rabbel et al [17] in their recent works, all adopted similar reaction probability-based protocols to establish their respective reaction models. However notably, few of these models could rationally relate the true reaction rate to their local reaction probability parameters.…”

Section: Introductionmentioning

confidence: 99%

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A kinetic chain growth algorithm in coarse-grained simulations

Zhu

et al. 2016

J. Comput. Chem.

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We propose a kinetic chain growth algorithm for coarse-grained (CG) simulations in this work. By defining the reaction probability, it delivers a description of consecutive polymerization process. This algorithm is validated by modeling the process of individual styrene monomers polymerizing into polystyrene chains, which is proved to correctly reproduce the properties of polymers in experiments. By bridging the relationship between the generic chain growth process in CG simulations and the chemical details, the impediment to reaction can be reflected. Regarding to the kinetics, it models a polymerization process with an Arrhenius-type reaction rate coefficient. Moreover, this algorithm can model both the gradual and jump processes of the bond formation, thus it readily encompasses several kinds of previous CG models of chain growth. With conducting smooth simulations, this algorithm can be potentially applied to describe the variable macroscopic features of polymers with the process of polymerization. The algorithm details and techniques are introduced in this article. © 2016 Wiley Periodicals, Inc.

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Section: Reaction Kineticsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

A kinetic chain growth algorithm in coarse-grained simulations

Zhu

et al. 2016

J. Comput. Chem.

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“…3,4 Electrochemical dissolution of metals in absolute alcohols containing a supporting electrolyte has been proved to be a promising synthesis method of metal alkoxides. 5,6 Many researchers synthesized tantalum, zirconium and titanium alkoxides using this method. [7][8][9] It is well known that most metals especially valve metals are easy to undergo spontaneous passivation in anhydrous alcoholic solutions due to the formation of a protective oxide layer.…”

Section: Introductionmentioning

confidence: 99%

Influence of Water on Passivation of Zr in n-butanol Solution Containing Bu<sup>n</sup><sub>4</sub>NBr

et al. 2018

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To understand the role of water on zirconium passivation in n-butanol solutions containing Bu n 4 NBr, composition and corrosion properties of the passive film were studied using cyclic voltammetry, X-ray photoelectron and electrochemical impedance spectroscopy. Zirconium undergoes spontaneous passivation followed by pitting corrosion as a result of passivity breakdown by the aggressive attack of bromide anions. The passive film consists mainly of ZrO 2 , ZrO 2 ·2H 2 O and a small amount of zirconium butoxide. The pitting potential shifts positively and pitting corrosion is seriously inhibited with the addition of a small amount of water. Water improves the pitting corrosion resistance of the passive film by changing the thickness and the relative ratio of OH − /O 2− . The result is helpful to electrosynthesize zirconium butoxide with high energy efficiency.

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“…12 Niobium, zirconium and hafnium alkoxides were also electrosynthesized by Berezkin et al 13 and Turevskaya et al 14 Electrochemical synthesis followed by vacuum distillation could prepare high-purity tantalum ethoxide. [15][16][17] In Russia, this technique has been successfully employed for the commercial production of alkoxides of Y, Ti, Zr, Nb, Ta, Mo, W, Cu, Ge and Sn.…”

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confidence: 99%

Electrochemical Synthesis of Zirconium n-Butoxide

et al. 2017

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Zirconium n-butoxide was successfully synthesized using electrochemical method and characterized by IR and 1 H-NMR spectra. The influence of various factors on the cell voltage of electrosynthesis process was studied. The cell voltage increased with an increase of electrode distance and current density, but decreased with the increasing Bu n 4 NBr concentration and solution temperature. The ideal conditions for electrosynthesis of zirconium n-butoxide were obtained. The resulting zirconium n-butoxide solution was purified by distillation and n-hexane extraction. Infrared spectra conformed to chemical bonds excellently, and the peak area ratio of nuclear magnetic resonance coincided with number ratio of hydrogen atoms in Zr(OC 4 H 9 ) 4 . The purity was close to 99.99%.

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Electrochemical synthesis of niobium(V) ethylate

Cited by 8 publications

References 1 publication

A kinetic chain growth algorithm in coarse-grained simulations

A kinetic chain growth algorithm in coarse-grained simulations

Influence of Water on Passivation of Zr in n-butanol Solution Containing Bu<sup>n</sup><sub>4</sub>NBr

Electrochemical Synthesis of Zirconium n-Butoxide

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