A computational mechanistic study of pH-dependent alcohol dehydrogenation catalyzed by a novel [C,N] or [C,C] cyclometalated Cp*Ir complex in aqueous solution

2014 ◽  
Vol 38 (8) ◽  
pp. 3862-3873 ◽  
Author(s):  
Dan-Dan Zhang ◽  
Xian-Kai Chen ◽  
Hui-Ling Liu ◽  
Xu-Ri Huang

Our results have elucidated the impressive performance of a catalyst in alcohol dehydrogenation in aqueous solution by tuning the pH value.

2021 ◽  
Vol 104 (2) ◽  
pp. 003685042110198
Author(s):  
Xiao Zhang ◽  
Xinyuan Li ◽  
Zihao Jin ◽  
Sadam Hussain Tumrani ◽  
Xiaodong Ji

Modified natural zeolites (MNZ) are widely used in pollutant removal, but how to address these MNZ that have adsorbed pollutants must be considered. Selenium is an essential trace element for metabolism and is also a water pollutant. Selenium is adsorbed in the water by MNZ in this study first. Then the Brassica chinensis L. was planted in the soil which contains the MNZ loaded with selenium (MNZ-Se) to explore selenium uptake. MNZ-Se release tests in water and soil were also considered. The results showed the following: (1) The maximum adsorption capacity of MNZ for selenium is 46.90 mg/g. (2) Water release experiments of MNZ-Se showed that regardless of how the pH of the aqueous solution changes, the trend of the release of selenium from MNZ-Se in aqueous solution is not affected and first decreases before stabilizing. (3) Soil release experiments of MNZ-Se showed that the selenium content in the soil increased and reached the concentration in the standard of selenium-rich soil. Addition amount and soil pH value will affect the release ratio. The release ratio of MNZ-Se in the water was higher than that in the soil. (4) With an increase in the soil MNZ-Se content, the selenium content in the soil and B. c increases. Above all, MZN can be a good medium for water pollutant removal and soil improvement.


Processes ◽  
2021 ◽  
Vol 9 (4) ◽  
pp. 720
Author(s):  
Do Tra Huong ◽  
Nguyen Van Tu ◽  
Duong Thi Tu Anh ◽  
Nguyen Anh Tien ◽  
Tran Thi Kim Ngan ◽  
...  

Fe-Cu materials were synthesized using the chemical plating method from Fe powder and CuSO4 5% solution and then characterized for surface morphology, composition and structure by scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS) and X-ray diffraction (XRD), respectively. The as-synthesized Fe-Cu material was used for removal of phenol from aqueous solution by internal microelectrolysis. The internal electrolysis-induced phenol decomposition was then studied with respect to various parameters such as pH, time, Fe-Cu material weight, phenol concentration and shaking speed. The optimal phenol decomposition (92.7%) was achieved under the conditions of (1) a pH value of phenol solution of 3, (2) 12 h of shaking at the speed of 200 rpm, (3) Fe-Cu material weight of 10 g/L, (4) initial phenol concentration of 100.98 mg/L and (5) at room temperature (25 ± 0.5 °C). The degradation of phenol using Fe-Cu materials obeyed the second-order apparent kinetics equation with a reaction rate constant of k of 0.009 h−1L mg−1. The optimal process was then tested against real coking wastewater samples, resulting in treated wastewater with favorable water indicators. Current findings justify the use of Fe-Cu materials in practical internal electrolysis processes.


2013 ◽  
Vol 295-298 ◽  
pp. 1154-1160 ◽  
Author(s):  
Guo Zhi Deng ◽  
Xue Yuan Wang ◽  
Xian Yang Shi ◽  
Qian Qian Hong

The objective of this paper is to investigate the feasibility of phenol adsorption from aqueous solution by Pinus massoniana biochar. Adsorption conditions, including contact time, initial phenol concentration, adsorbent dosage, strength of salt ions and pH, have been investigated by batch experiments. Equilibrium can be reached in 24 h for phenol from 50 to 250 mg• L-1. The optimum pH value for this kind of biochar is 5.0. The amount of phenol adsorbed per unit decreases with the increase in adsorbent dosage. The existence of salt ions makes negligible influence on the equilibrium adsorption capacity. The experimental data is analyzed by the Freundlich and Langmuir isotherm models. Equilibrium data fits well to the Freundlich model. Adsorption kinetics models are deduced and the pseudo-second-order kinetic model provides a good correlation for the adsorbent process. The results show that the Pinus massoniana biochar can be utilized as an effective adsorption material for the removal of phenol from aqueous solution.


2016 ◽  
Vol 74 (6) ◽  
pp. 1365-1375 ◽  
Author(s):  
Chensi Shen ◽  
Shaoshuai Wu ◽  
Hui Chen ◽  
Sadia Rashid ◽  
Yuezhong Wen

In order to prevent health risk from potential exposures to phthalates, a glow discharge plasma (GDP) process was applied for phthalate degradation in aqueous solution. The results revealed that the phthalate derivatives 4-hydroxyphthalic acid, 4-methylphthalic acid and 4-tert-butylphthalic anhydride could be degraded efficiently in GDP process (498 V, 0.2 A) with high removal efficiencies of over 99% in 60 minutes. Additionally, pyrite as a promising heterogeneous iron source in the Fenton reaction was found to be favorable for GDP process. The phthalate degradation reaction could be significantly enhanced by the continuous formation of •OH and the inhibition of the quenching reaction in the pyrite Fenton system due to the constant dissolution of Fe(II) from pyrite surface. Meanwhile, the initial pH value showed little impact on the degradation of phthalates and the energy efficiency of GDP system for phthalate degradation ranged between 0.280 × 10−9 and 1.210 × 10−9 mol/J, which is similar to the GDP system with phenol, bisphenol A and methyl tert-butyl ether as the substrates. Further, the X-ray diffraction and scanning electron microscopy with energy dispersive X-ray spectroscopy analyses indicated that the pyrite was relatively stable in GDP system and there was no obvious polymeric compound formed on the catalyst surface. Overall, this GDP process offers high removal efficiency, simple technology, considerable energy efficiency and the applicability to salt-containing phthalate wastewater.


2013 ◽  
Vol 798-799 ◽  
pp. 1123-1127
Author(s):  
Hua Lei Zhou ◽  
Qiong Qiong Zhu ◽  
Dong Hua Huang

The activated carbon with high surface area was prepared by KOH activation from anthracite and used as adsorbent for removal of Cr (VI) from aqueous solution. The pore structure and surface properties were characterized by N2 adsorption at 77K, transmission electron microscope (TEM) and Fourier transform infrared spectroscopy ( FTIR). Effect of pH and isotherms at different temperature were investigated. Results show that the prepared carbon is a microporous-and mesoporous-adsorbent with developed pore structure and abundant surface oxygen-containing groups. PH value of the solution plays key function on the adsorption. The chemical adsorption dominates the adsorption process. The activated carbon exhibits much higher Cr adsorption capacity than the commercial activated carbon at initial pH of ~3. The equilibrium adsorption data are fitted by both Freundlich model and Langmuir model well.


2014 ◽  
Vol 513-517 ◽  
pp. 65-69
Author(s):  
Xiao Jun Hu ◽  
Xin Yan Hu ◽  
Zhi Zhang

According to the principle of dynamic quenching a new ON-OFF fluorescent chemosensor for Cu2+ions was designed, this chemosensor was composed of p-tert-butylthiacalix [arene (TCA),sodium dodecyl sulfate (SDS) and perylene through the form of self-assembly in aqueous solution. Addition of Cu2+ions could result in a quenching of the fluorescence emission of perylene inside micelles, which due to intramicellar complex-fluorophore electron-transfer or energy-transfer effects induced by the complexation of TCA with the Cu2+ions.The experimental results indicated that: Under the condition of TCA/perylene was 800/1, SDS concentration was 150mmol/L and pH value above 9, according to the fluorescence quenching ,within a certain range of the concentration of Cu2+ion can be linearly determined.


2014 ◽  
Vol 976 ◽  
pp. 52-58 ◽  
Author(s):  
Janeth Sarmiento Arellano ◽  
Enrique Rosendo ◽  
Román Romano ◽  
Gabriela Nieto ◽  
Tomás Díaz ◽  
...  

A comparative study of the synthesis of cadmium selenide (CdSe) nanoparticles (NPs) using different cadmium precursors such as, cadmium nitrate (Cd (NO3)2·4H2O), cadmium acetate ((CH3COO)2Cd·2H2O) and cadmium chloride (CdCl2·2.5H2O) is presented in this work. The method used to obtain the CdSe NPs was the colloidal synthesis at low temperature and atmospheric pressure. The Cd2+ ions were obtained in aqueous solution at room temperature, the surfactant used in the process was an aqueous solution of sodium hydroxide (NaOH), penta-sodium tripolyphosphate and H2O named commonly extran, which not only helps to stabilize the NPs, but also allows adjusting the pH of the solution. Se2- ions were obtained with sodium borohydride (NaBH4) as reductant at 75 oC. The by-products from the reaction were eliminated through a cleaning process with hydrochloric acid (HCl). Molar concentration of Cd:Se was varied from 3:1 to 1:3 and the pH value was varied between 8 and 11. The obtained samples were characterized by X-ray diffraction (XRD), it was seen that the obtained NPs present cubic centered face structure. The crystallite size from the powder was calculated using the Debye-Scherrer equation and was found between 3.3 nm and 5.6 nm, the variation in size depends on the molar concentration of cadmium and selenium. Morphological study was done using scanning electron microscopy (SEM) and compositional analysis was done by energy dispersive x-ray analysis (EDAX).


2017 ◽  
Vol 36 (3-4) ◽  
pp. 857-871 ◽  
Author(s):  
Chao Xue ◽  
Peishi Qi ◽  
Yunzhi Liu

Batch experiments were conducted to investigate the capacity and mechanisms for adsorbing Cd2+ from aqueous solutions by the composite material. The composite material was manufactured with Plesiomonas shigelloides strain H5 and modified polyacrylonitrile-based carbon fiber. Experimental results showed that the surface areas of modified polyacrylonitrile-based carbon fiber increased by 58.54% and pore width increased by 40.19% compared with unmodified polyacrylonitrile-based carbon fiber. Boehm’s titration results show the surface acid sites of composite material were increased by 712% compared with unmodified polyacrylonitrile-based carbon fiber. The field emission scanning electron microscope results show P. shigelloides H5 can be grown on the surface of modified polyacrylonitrile-based carbon fiber closely. The equilibrium removal rate and sorption quantity of composite material were 71.56% and 7.126 mg g−1, respectively. With the pH value of aqueous solution increased, the removal rate of Cd2+ ions was also increased, but the change of temperature and ionic strength had no significant effect on the removal rate. Furthermore, the results showed the whole sorption process was a good fit to Lagergren pseudo-second-order model and Freundlich isotherms model. Therefore, the results infer that there was a heterogeneous distribution of active sites, and then the sorption process was chemical adsorption and multilayer adsorption. In a word, microbial composite carbon fiber material can adsorb Cd2+ ions from aqueous solution effectively, which might be helpful in wastewater treatment in the future.


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