Water/ethanol complexation induced solubility variation of hexaquocobalt(II) bis (p-toluenesulfonate) and hexaquonickel(II) bis (p-toluenesulfonate)

Yu, Chao; Wu, Shutian; Huang, Zhijuan; Zhao, Yang; Zeng, Zuoxiang

doi:10.1016/j.molliq.2016.09.094

Cited by 11 publications

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“…Moreover, different water/ethanol complexations would induce the solubility variation of Co(OTs) 2 Á6H 2 O in water and ethanol mixtures, and the solubility of Co(OTs) 2 Á6H 2 O increased with the increasing x 2 when x 2 \ *0.348 and x 2 [ *0.741; while it decreased with the increasing x 2 in the range *0.348-0.741. This phenomenon and the explanation were reported in our recent paper [4]. The experimental solubilities of Co(OTs) 2 Á6H 2 O in water and ethanol mixtures at T = 298.15 K and p = 0.1 MPa were reported in Table 2 and Fig.…”

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“…The parameters of the CNIBS/R-K model and hybrid model published in this journal could predict the solubilities of Co(OTs) 2 Á6H 2 O at other solvent compositions when x 2 \ 0.342, in other words, it is suitable to obtain the solubilities of Co(OTs) 2 Á6H 2 O in water-rich binary solvent. The predictive power of the model was validated when T = 288.15 K at this time, and the procedure and method to measure the solubility data of Co(OTs) 2 Á6H 2 O was similar to our previous work [2,4]. The experimental results are listed in Table 1.…”

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confidence: 72%

“…The experimental solubilities of Co(OTs) 2 Á6H 2 O in water and ethanol mixtures at T = 298.15 K and p = 0.1 MPa were reported in Table 2 and Fig. 4 in [4]. Meanwhile, the solubility data of Co(OTs) 2 Á6H 2 O were correlated by the CNIBS/R-K model and the following mathematical representation was obtained:…”

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Response to “Comments on ‘Thermodynamic Models for Correlation of Solubility of Hexaquocobalt(II) Bis(p-toluenesulfonate) in Liquid Mixtures of Water and Ethanol from 288.15 to 333.15 K’”

Zhao

Zeng

2017

J Solution Chem

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The comments from Acree et al. [1], which are focused on ''Thermodynamic Models for Correlation of Solubility of Hexaquocobalt(II) Bis(p-toluenesulfonate) in Liquid Mixtures of Water and Ethanol from 288.15 to 333.15 K'' are appreciated. We have read it carefully and are particularly grateful to you for your hard work on this topic. In order to let other researchers and readers know better about our work, our explanations for the questions proposed by these comments are also given.In our recent paper [2] we reported the solubilities of hexaquocobalt(II) bis(p-toluenesulfonate) [Co(OTs) 2 Á6H 2 O] in water and ethanol mixtures containing molar fractions of 0-0.342 ethanol from 288.15 to 333.15 K using a synthetic method. The experimental data were correlated by the modified Apelblat equation, the Combined Nearly Ideal Binary Solvent Redlich-Kister (CNIBS/R-K) model, and a hybrid model that was a combination of the Jouyban-Acree and modified Apelblat models. The parameters of the above models were listed in Tables 3-5 in [2].Before the experiments, we did some pre-experiments that measured the solubility of Co(OTs) 2 Á6H 2 O in ethanol and found the solubility of Co(OTs) 2 Á6H 2 O increased little with increasing temperature. Therefore, we thought ethanol might not be a better choice as an antisolvent for crystallization of Co(OTs) 2 Á6H 2 O in industry, and we decided to measure the solubilities of Co(OTs) 2 Á6H 2 O in water rich binary solvents. Based on the experimental data, we found that the solubility tends to level out when the molar fraction of ethanol (x 2 ) is in the range of 0.228-0.342. According to Liu et al. [3], some of the ethanol and water molecules in the mixture will form (water) 2 -ethanol clusters. Therefore, the addition of ethanol leads to the formation of more clusters. Combined with our research, we held the idea that these new clusters (formed by ethanol and water molecules, the molar fraction of ethanol is * 0.333, which is quite close to 0.342) were adverse to the increase of the This response refers to the commentary article at

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Response to “Comments on ‘Thermodynamic Models for Correlation of Solubility of Hexaquocobalt(II) Bis(p-toluenesulfonate) in Liquid Mixtures of Water and Ethanol from 288.15 to 333.15 K’”

Zhao

Zeng

2017

J Solution Chem

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“…It is noteworthy that when the lauric acid to ethanol molar ratio was 1:2 the highest conversion of lauric acid was achieved in comparison with other cases. It might be due to the fact that with the increase of the concentration of ethanol, the associated interactions between ethanol and produced water were enhanced to form water/ethanol clusters, which can drive the reaction equilibrium toward the product side with a slightly faster reaction rate.…”

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confidence: 99%

Kinetic study on the reaction of lauric acid with ethanol catalyzed by deep eutectic solvent based on cetyl trimethyl ammonium bromide

Chen

Xue

et al. 2019

Int J of Chemical Kinetics

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In this work, a novel type of deep eutectic solvents (DES: CTAB–DES) based on cetyl trimethyl ammonium bromide (CTAB) was successfully synthesized by mixing CTAB with p‐toluenesulfonic acid monohydrate and applied as catalysts for the esterification reaction of ethanol and lauric acid. The kinetics of the reaction of ethanol and lauric acid catalyzed by CTAB–DES was investigated in the temperature range of 328.15–348.15 K. The influence of different parameters including agitation speed, temperature, catalyst loading, and the lauric acid to ethanol molar ratio on the conversion of lauric acid was discussed. The kinetic experimental data obtained were correlated by the pseudo‐homogeneous model, and the results show that it can predict the reaction process well. Moreover, CTAB–DES can be reused six times without any significant decrease in catalytic activity.

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“…The front orbital of molecules is a crucial part of the substance reaction, and the interaction of metals with corrosion inhibitors can be further investigated by combining the highest occupied orbital (HOMO) and the lowest unoccupied orbital (LUMO) of a molecule. 50,51 Hence, a range of quantum chemical parameters such as HOMO and LUMO energy levels, electrostatic potential (ESP), and energy gap (ΔE) are calculated using the DFT method. Figure 10 shows the optimized structure, the ESP map, and the HOMO and LUMO density distributions of Fmoc-Met-OH.…”

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confidence: 99%

Surface Interaction Effect and Mechanism of Methionine Derivatives as Novel Inhibitors for Alkaline Copper CMP: Insights from Molecular Simulation and Experimental Analysis

Zhan,

Niu,

Liu

et al. 2023

ECS J. Solid State Sci. Technol.

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To prevent excessive corrosion caused by the slurry in the copper (Cu) chemical mechanical polishing (CMP) process, a corrosion inhibitor is normally required. In this study, the methionine (Met) derivative FMOC-L-Methionine (Fmoc-Met-OH) was explored as a corrosion inhibitor for Cu film CMP in weak alkaline conditions (pH = 8.5). A comprehensive evaluation was conducted to confirm the efficiency of Fmoc-Met-OH as a corrosion inhibitor, combining experiments and theoretical calculations. The results showed that Fmoc-Met-OH could effectively inhibit the corrosion of Cu, with a high inhibition efficiency (IE) of 78.26% while maintaining a high removal rate (RR) of 5703 Å min−1, a low static etch rate (SER) of 676 Å min−1, and a low surface root mean square deviation (Sq) of 1.41 nm. Simultaneously, the results of X-ray photoelectron spectroscopy (XPS) tests and electrochemical analysis confirm that Fmoc-Met-OH molecules can form a dense and ordered adsorption film on the Cu surface. According to the density functional theory (DFT) calculations and molecular dynamics (MD) simulation, it was verified that Fmoc-Met-OH exhibited strong chemical adsorption on Cu substrates, as evidenced by the high binding energy (E Binding) value, low energy gap (ΔE), and radial distribution function (RDF) analysis. The findings provided theoretical evidence of the better inhibition effectiveness of Fmoc-Met-OH at a molecular or atomic level.

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Water/ethanol complexation induced solubility variation of hexaquocobalt(II) bis (p-toluenesulfonate) and hexaquonickel(II) bis (p-toluenesulfonate)

Cited by 11 publications

References 38 publications

Response to “Comments on ‘Thermodynamic Models for Correlation of Solubility of Hexaquocobalt(II) Bis(p-toluenesulfonate) in Liquid Mixtures of Water and Ethanol from 288.15 to 333.15 K’”

Response to “Comments on ‘Thermodynamic Models for Correlation of Solubility of Hexaquocobalt(II) Bis(p-toluenesulfonate) in Liquid Mixtures of Water and Ethanol from 288.15 to 333.15 K’”

Kinetic study on the reaction of lauric acid with ethanol catalyzed by deep eutectic solvent based on cetyl trimethyl ammonium bromide

Surface Interaction Effect and Mechanism of Methionine Derivatives as Novel Inhibitors for Alkaline Copper CMP: Insights from Molecular Simulation and Experimental Analysis

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