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CATALYSIS COMMUNICATIONS · 2015 · IF 3.699

Alkylation of thiophenic compounds catalyzed by deep eutectic solvents

Xiao-dong Tang,Yong-fen Zhang,Jing-jing Li

Deep eutectic solvents (DESs), which were prepared by using AlCl 3 and acetamide or urea, show excellent catalytic performance for the olefin alkylation thiophenic sulfur (OATS) in 3-methylthiophene (3-MT) model oil and real gasoline within 40   min at 50   °C. The addition of toluene and benzene increases the conversion of thiophenic compounds and decreases the conversion of olefin. Then the mechanism of OATS with modified catalyst was discussed.

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JOURNAL OF CHEMICAL THERMODYNAMICS · 2015 · IF 2.679

(Liquid + liquid) extraction of methanol from alkanes using dialkylphosphate-based ionic liquids as solvents

Fufeng Cai,Guomin Xiao

In this work, the feasibility of ionic liquids (ILs), 1,3-dimethylimidazolium dimethylphosphate ([MMIM][DMP]), 1-ethyl-3-methylimidazolium diethylphosphate ([EMIM][DEP]), and 1-butyl-3-methylimidazolium dibutylphosphate ([BMIM][DBP]), as solvents for the extraction of methanol from its mixtures with hexane and heptane was analyzed. The knowledge of (liquid   +   liquid) equilibria (LLE) of these mixtures is necessary for the design of the extraction separation process. Hence, the LLE data for the ternary systems, {methanol   +   hexane   +   ([MMIM][DMP], or [EMIM][DEP], or [BMIM][DBP])}, and {methanol   +   heptane   +   ([MMIM][DMP], or [EMIM][DEP], or [BMIM][DBP])}, were measured at T   =   298.2   K and atmospheric pressure. The experimental results were correlated with the thermodynamic nonrandom two-liquid (NRTL) model. The solute distribution ratios of methanol and methanol/alkane selectivities, derived from the experimental LLE data, were calculated and analyzed to evaluate the capability of the studied ILs to accomplish the separation target. Meanwhile, these capabilities were also compared with that of other ILs obtained from the literature.

CAS / MDL: 142-82-5 71-23-8
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GREEN CHEMISTRY · 2015 ·Vol. 18 ·期 1 ·157-164 · IF 8.02

Efficient removal of both basic and non-basic nitrogen compounds from fuels by deep eutectic solvents

Mohammad Chand Ali,Qiwei Yang,Andrew Aaron Fine,Wenbin Jin,Zhiguo Zhang,Huabin Xing,Qilong Ren

The removal of nitrogen compounds (N-compounds) from fuels has attracted considerable attention because of the necessity to reduce nitrogen oxide emission and improve sulfur elimination. In this work, we reported a novel denitrogenation method of fuels using deep eutectic solvents (DESs) as extractants, and demonstrated the essential role of a rational control of the physicochemical character of DESs in achieving superior denitrogenation performance. Among the investigated DESs, the 1 : 2 molar mixture of choline chloride and phenylacetic acid presented the best denitrogenation performance, showing simultaneous efficient removal of both basic and non-basic N-compounds. Without chemical reactions, the extraction efficiencies of pyridine and carbazole at 308 K with a 1 : 1 DES : oil mass ratio were 99.2% and 98.2%, respectively, and the selectivities to n-heptane were higher than 10 000. This was better than the performance of compared conventional solvents. The extraction efficiency was not sensitive to the DES : oil mass ratio and temperature, and remained unchanged after four regeneration cycles. In addition to the “green solvents” character of DESs, these results collectively demonstrate the considerable potential of DESs as promising materials for the green and efficient denitrogenation of fuels.

CAS / MDL: 67-48-1 142-82-5
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FLUID PHASE EQUILIBRIA · 2014 · IF 2.241

Liquid–liquid equilibria for ternary systems ethanol + heptane + phosphoric-based ionic liquids

Fufeng Cai,Guomin Xiao

This work demonstrates the capabilities of three phosphoric-based ionic liquids (ILs) as solvents for the extraction of ethanol from its mixture with heptane. The knowledge of liquid–liquid equilibria (LLE) of this mixture is essential for the design of the extraction separation process. For this reason, the experimental LLE data were measured for the ternary systems, {ethanol   +   heptane   +   1,3-dimethylimidazolium dimethylphosphate ([MMIM][DMP]), or 1-ethyl-3-methylimidazolium diethylphosphate ([EMIM][DEP]), or 1-butyl-3-methylimidazolium dibutylphosphate ([BMIM][DBP])}, at T   =   298.2   K and atmospheric pressure. The thermodynamic nonrandom two-liquid (NRTL) model was used to correlate the experimental results for the studied ternary systems. The extraction capabilities for the studied ILs were evaluated by solute distribution ratios of ethanol and ethanol/heptane selectivities. Moreover, this extraction capability was also compared with other ILs obtained from the literature. The experimental results show that the studied ILs can be suitable to act as solvents for the separation of the ethanol and heptane in the extraction process. The extraction capabilities for the studied ILs decrease in the following order [MMIM][DMP]   >   [EMIM][DEP]   >   [BMIM][DBP].

CAS / MDL: 142-82-5 71-23-8
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2015 · IF 2.037

Measurement of the Speed of Sound in Hexane and Heptane at Temperatures from (303.15 to 536.15) K and Pressures from (1.0 to 8.5) MPa

Xiong Zheng,Ying Zhang,Maogang He

The speed of sound in hexane and heptane (mass purity > 0.990, GC) was measured using the Brillouin light scattering method at T = (300.15 to 506.15) K for hexane, (302.15 to 536.15) K for heptane), and p = (1.0 to 8.5) MPa, including saturated liquid, saturated vapor, and compressed liquid. The expanded relative uncertainty (k = 2) of the speed of sound was estimated to be less than 1.0% over the whole investigated range of states. Polynomial representations for the speed of sound in hexane and heptane were fitted to the experimental results. A comparison of the speed of sound data with the correlation shows that, for hexane, the AAD is 0.67% for the saturated liquid, 0.36% for the saturated vapor and 0.57% for the compressed liquid respectively, and for heptane, the AAD is 0.46% for the saturated liquid, 0.38% for the saturated vapor and 0.41% for the compressed liquid, respectively.

CAS / MDL: 110-54-3 142-82-5
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ACS Applied Materials & Interfaces · 2016 · IF 7.145

Novel Fluorinated Polymers Containing Short Perfluorobutyl Side Chains and Their Super Wetting Performance on Diverse Substrates

Jingxian Jiang,Guangfa Zhang,Qiongyan Wang,Qinghua Zhang,Xiaoli Zhan,Fengqiu Chen

Because the emission of perfluorooctanoic acid (PFOA) was completely prohibited in 2015, the widely used poly- and perfluoroalkyl substances with long perfluoroalkyl groups must be substituted by environmentally friendly alternatives. In this study, one kind of potential alternative (i.e., fluorinated polymers with short perfluorobutyl side chains) has been synthesized from the prepared monomers {i.e., (perfluorobutyl)ethyl acrylate (C4A), (perfluorobutyl)ethyl methacrylate (C4MA), 2-[[[[2-(perfluorobutyl)]sulfonyl]methyl]amino]ethyl acrylate (C4SA), and methacrylate (C4SMA)}, and the microstructure, super wetting performance, and applications of the synthesized fluorinated polymers were systematically investigated. The thermal and crystallization behaviors of the fluoropolymer films were characterized by differential scanning calorimetry and wide-angle X-ray diffraction analysis, respectively. Dynamic water-repellent models were constructed. The stable low surface energy and dynamic water- and oil-repellent properties of these synthesized fluorinated polymers with short perfluorobutyl side chains were attributed to the synergetic effect of amorphous fluorinated side chains in perfluoroalkyl acrylate and crystalline hydrocarbon pendant groups in stearyl acrylate. Outstanding water- and oil-repellent properties of fabrics and any other substrates could be achieved by a facile dip-coating treatment using a fluorinated copolymer dispersion. As a result, we believe that our prepared fluorinated copolymers are potential candidates to replace the fluoroalkylated polymers with long perfluorinated chains in nonstick and self-cleaning applications in our daily life.

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Science China-Chemistry · 2016 ·Vol. 59 ·期 7 ·824-829 · IF 2.429

Theoretical simulation of chromatographic separation based on random diffusion in the restricted space

Zhao Jianwei,Sun Yinlu,Gao Yajun

The diffusion behavior of particles in the chromatography is a fundamental issue of chromatographic dynamics. The understanding of the diffusion behaviors is particularly critical to optimize the operation conditions, improve the chromatographic performance and design a new separation device. Many of the present simulations focus on chromatographic thermodynamics, and very few aim at the overall diffusion and separation process. In order to dynamically trace the trajectory of the diffusing particles and to perform simulations of the whole chromatographic process, we have developed a model based on the framework of random walk in the restricted space and performed the simulation of a single particle diffusion in the gas chromatography. The simulation parameters were determined by comparing with the experimental data. The elution profiles of n-alkanes under different flow rates were accurately simulated with the method. The results show that the relative difference between the measures and the simulations are less than 2% and 10% for the retention time and the peak width, respectively. The simulation method shows great significance for the optimization of separation conditions and the development of novel technologies of chromatographic separation.

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RSC Advances · 2017 ·Vol. 7 ·期 77 ·48526-48536 · IF 3.108

Corrosion properties of steel in 1-butyl-3-methylimidazolium hydrogen sulfate ionic liquid systems for desulfurization application

Qian Zeng,Jinwei Zhang,Hongye Cheng,Lifang Chen,Zhiwen Qi

Ionic liquids (IL) become more promising in industrial applications, especially in desulfurization processes. It is of great importance to investigate their corrosivity to steel and the effect of steel corrosion on desulfurization performance. In this work, the corrosion behavior of two typical metals, namely mild steel and stainless steel, in 1-butyl-3-methylimidazolium hydrogen sulfate ([BMIM]HSO4) IL systems for desulfurization application were investigated by weight loss and surface analyses. The model oil can inhibit the IL corrosivity, while the presence of water or H2O2 enhances the corrosion degree. The bonding information of [BMIM]HSO4 adsorbed on a steel surface was confirmed using ATR-FTIR. It was found that the IL film is mainly adsorbed on the metal surface by the interaction of the imidazolium group of the cation and HSO4− of the anion with the steel surface. From the ICP-MS and Raman analyses, the primary component of corrosion products is iron sulfate (ferric sulfate for mild steel and ferrous sulfate for stainless steel). Localized corrosion (pitting and/or intergranular corrosion) appears on steel surface from SEM observation, which could be a serious safety risk to the [BMIM]HSO4-based desulfurization systems for industrial application. The corrosion has a side effect on the desulfurization performance of [BMIM]HSO4.

CAS / MDL: 142-82-5 7722-84-1
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JOURNAL OF SOL-GEL SCIENCE AND TECHNOLOGY · 2016 ·Vol. 80 ·期 1 ·239-248 · IF 1.473

Fluorescent poly(n-hexyl isocyanate) triblock terpolymer and its thermoreversible gels

Cui Yuheng,Kang Xin,Zhang Jie,Zhang Liqun,Yue Dongmei

Abstract Thermoreversible gels were obtained from the well-defined triblock terpolymer poly(n-hexyl isocyanate)-b-polybutadiene-b-poly(n-hexyl isocyanate) (PHIC-b-PB-b-PHIC). PHIC-b-PB-b-PHIC adopted a helical conformation and exhibited florescence in solution. The gels were prepared in both n-heptane and n-octane. The gelation concentration and temperature could be affected by various factors. Hydrogen bonding and intermolecular aggregation were the driving forces to form stable thermoreversible gels. Atomic force microscopy (AFM) showed that the microstructure of the gels consisted of aggregates of fibrous nanoribbons. Because of their thermosensitivity and fluorescence, the thermoreversible gels have potential applications in sensors and temperature-sensitive switches. Graphical Abstract

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FLUID PHASE EQUILIBRIA · 2016 · IF 1.846

Effect of cation alkyl chain length on liquid-liquid equilibria of {ionic liquids + thiophene + heptane}: COSMO-RS prediction and experimental verification

Zhen Song,Jingjing Zhang,Qian Zeng,Hongye Cheng,Lifang Chen,Zhiwen Qi

When selecting ionic liquid (IL) as solvent for extraction processes, the cation alkyl chain length is an important structural variation, while research particularly concerning its effect is lacking. In this work, the effect of cation alkyl chain length on the liquid-liquid equilibria of {IL +  thiophene  + heptane}, an example for extractive desulfurization, was systematically investigated. The COSMO-RS model was employed to calculate the distributional coefficient (β ∞ ) and selectivity (S ∞ ) at infinite dilution for thiophene of the combinations of 17 cations and 63 anions. Two different anion-dependent tendencies of the β ∞ with increasing the cation alkyl chain length were identified and analyzed by COSMO-RS theory. To verify the scarcely-reported decreasing β ∞ with longer cation alkyl chain, acetate ([OAc] − ) was selected as representative and liquid-liquid equilibria {[C n MIM][OAc] + thiophene + heptane} (n = 2, 4, 6, 8) were experimentally determined, which validate the anion-dependency and demonstrate the highest extraction performance of [C 2 MIM][OAc].

CAS / MDL: 142-82-5 110-02-1
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CHINESE JOURNAL OF CHEMICAL ENGINEERING · 2016 · IF 1.207

Hydrodynamic cavitation as an efficient method for the formation of sub-100 nm O/W emulsions with high stability

Zhiliang Zhang,Guangquan Wang,Yong Nie,Jianbing Ji

Hydrodynamic cavitation, a newly developed process intensification technique, has demonstrated immense potential for intensifying diverse physical and chemical processes. In this study, hydrodynamic cavitation was explored as an efficient method for the formation of sub-100 nm oil-in-water (O/W) emulsions with high stability. O/W emulsion with an average droplet size of 27   nm was successfully prepared. The average droplet size of O/W emulsions decreased with the increase of the inlet pressure, number of cavitation passes and surfactant concentration. The formed emulsion exhibited admirable physical stability during 8   months. Moreover, the hydrodynamic cavitation method can be generalized to fabricate large varieties of O/W emulsions, which showed great potential for large-scale formation of O/W emulsions with lower energy consumption.

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CHINESE JOURNAL OF CHEMICAL ENGINEERING · 2016 · IF 1.207

Effect of water on extractive desulfurization of fuel oils using ionic liquids: A COSMO-RS and experimental study

Zhen Song,Dian Yu,Qian Zeng,Jingjing Zhang,Hongye Cheng,Lifang Chen,Zhiwen Qi

When evaluating ionic liquids (ILs) for extractive desulfurization (EDS) of fuel oils, the inevitable presence of water in the system may have a significant and in many cases strongly negative effect. However, few studies have considered this particular issue and a promoted water effect on EDS is scarcely reported. In this work, COSMO-RS was firstly employed to calculate the capacity and selectivity for EDS of various IL/H 2 O mixtures, which cover different IL characters and a wide water concentration range. Experiments were then conducted with a representative IL [C 4 MIM][H 2 PO 4 ], whose stable and even promoted extraction performance with a small amount of water was suggested by COSMO-RS. Through analyses of the desulfurization ratio, the cross-solubility and the water content in the desulfurized fuel, the promoted effect of water within a certain range (<   10   wt%) was experimentally demonstrated. Moreover, such effect of water was explained combining the viscosity, the solvent–solute interactions and the COSMO-RS based analysis.

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