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Catalysts · 2019 ·Vol. 9 ·期 3 ·218 · IF 3.444

K-Modulated Co Nanoparticles Trapped in La-Ga-O as Superior Catalysts for Higher Alcohols Synthesis from Syngas

Shaoxia Guo,Guilong Liu,Tong Han,Ziyang Zhang,Yuan Liu

Owing to the outstanding catalytic performance for higher alcohol synthesis, Ga-Co catalysts have attracted much attention. In view of their unsatisfactory stability and alcohol selectivity, herein, K-modulated Co nanoparticles trapped in La-Ga-O catalysts were prepared by the reduction of La1−xKxCo0.65Ga0.35O3perovskite precursor. Benefiting from the atomic dispersion of all the elements in the precursor, during the reduction of La1−xKxCo0.65Ga0.35O3, Co nanoparticles could be confined into the K-modified La-Ga-O composite oxides, and the confinement of La-Ga-O could improve the anti-sintering performance of Co nanoparticles. In addition, the addition of K modulated parts of La-Ga-O into La2O3, which ameliorated the anti-carbon deposition performance. Finally, the addition of K increased the dispersion of cobalt and provided more electron donors to metallic Co, resulting in a high activity and superior selectivity to higher alcohols. Benefiting from the above characteristics, the catalyst possesses excellent activity, good selectivity, and superior stability.Keywords:perovskite-type oxide (PTO);cobalt;gallium;potassium;higher alcohols;syngas

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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2018 · IF 2.196

Water Activity and Solubility Measurements and Model Simulation of the CsCl–MgCl2–H2O Ternary System at 323.15 K

Lijiang Guo,Lanying Tu,Yaxiao Wang,Jianqiang Li

Water activities in the ternary system CsCl–MgCl2–H2O and its sub-binary systems at 323.15 K were elaborately measured by an isopiestic method. Moreover, the solubility of the CsCl–MgCl2–H2O system at 323.15 K was also measured by the flow-cloud-point method. A Pitzer model was used to predict the measured water activity and solubility data. The binary parameters for the CsCl–H2O system at 323.15 K were obtained by fitting the measured water activities for this binary system. The calculated water activity and solubility isotherms for the CsCl–MgCl2–H2O system at 323.15 K, with binary parameters only, deviated from the experimental values. This means that it is insufficient with binary parameters only to predict the water activity and calculate the solubility isotherms of the CsCl–MgCl2–H2O system at 323.15 K. The calculated solubility isotherms with both binary and mixing parameters, obtained by fitting the measured water activity, also deviated from experimental values. A new set of reasonable ternary parameters for the CsCl–MgCl2–H2O system was obtained by fitting the measured water activity and solubility data of this work. The calculated solubility isotherms with these parameters agreed with experimental results.

CAS / MDL: 7647-17-8
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Energy Technology · 2018 ·Vol. 6 ·期 12 ·2358-2366 · IF 3.175

Anchoring K+ in Li+ Sites of LiNi0.8Co0.15Al0.05O2 Cathode Material to Suppress its Structural Degradation During High-Voltage Cycling

Junkai Zhao,Zhixing Wang,Jiexi Wang,Huajun Guo,Xinhai Li,Weihua Gui,Ning Chen,Guochun Yan

The rapid rise of electrode impedance and capacity decay of Ni-rich layered cathode materials during high-voltage cycling are rooted in their severe structural degradation. Here we present a feasible strategy, anchoring ∼1 % K + into the Li + sites of LiNi 0.8 Co 0.15 Al 0.05 O 2 as an excellent structural stabilizer, to overcome aforementioned issues, and the similarities and differences in terms of modification mechanism is compared with Na + . Showing difference with Na + that tends to migrate into electrolyte during high-voltage cycling, K + occupies in Li + site firmly because of its larger ionic radius and lower migrating ability, which sustainably prevent the irreversible phase transition between two hexagonal phases (H2 and H3) and impede the cation migration in highly delithiated state, thus suppressing the structural degradation. Benefiting from these merits, Li 0.99 K 0.01 Ni 0.8 Co 0.15 Al 0.05 O 2 delivers a large initial discharge capacity of 217 mAh g −1 at 0.1 C and maintains stable cycling at 1 C in a high voltage of 4.6 V (remaining 87.4 % of its initial capacity after 150 cycles). The mechanism proposed in this work, accounting for enhanced structural stability under high-voltage cycling by K + anchoring in Ni-rich cathode materials, provides a vital hint for rational designing advanced cathode materials to pursue high energy density Li-ion batteries.

CAS / MDL: 1310-66-3 584-08-7
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2018 · IF 2.196

Solubilities of Isophthalic Acid in Ternary Mixtures of Acetic Acid + Water + Benzoic Acid from 292.55 to 372.10 K

Shuyu Ning,Weifeng Chen,Teng Pan,Youwei Cheng,Lijun Wang,Xi Li

Solubilities of isophthalic acid in ternary mixtures of acetic acid + water + benzoic acid were determined by the static analytical method. The temperature range was from 292.55 to 372.10 K, the mass ratios of water to acetic acid were 0, 1:9, and 1:4, and the mass fractions of benzoic acid in initial solvent ranged from 0 to 20.1%. The experimental results indicated that the solubility of isophthalic acid increased with the introduction of benzoic acid to the binary solvents of acetic acid and water, and that could be explained by Hansen’s three-dimensional parameters and like-dissolves-like rule. Then the experimental solubilities were correlated by the nonrandom two liquids (NRTL) model, and the model parameters were regressed. The values calculated by the NRTL model showed good agreement with the experiment data.

CAS / MDL: 121-91-5
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2018 · IF 2.196

Solubility of 2,5-Furandicarboxylic Acid in Eight Pure Solvents and Two Binary Solvent Systems at 313.15–363.15 K

Yongzhao Zhang,Xia Guo,Ping Tang,Jian Xu

2,5-Furandicarboxylic acid (FDCA) serves as a monomer in various polyesters and is often obtained through the oxidation of 5-hydroxymethylfurfural. The solubility data of FDCA are of great value for the reaction process analysis and separation technology. The experimental solubility of FDCA in eight pure solvents (water, methanol, acetonitrile, acetic acid, ethyl acetate, methyl isobutyl ketone (MIBK), 1-butanol, and isobutanol) and two binary solvent systems (water + acetonitrile and water + acetic acid) in the temperature range of 313.15–363.15 K was determined. In pure solvents and binary mixtures, the solubility of FDCA increased with the increasing temperature. The order from largest to smallest solubility in pure solvents was as follows: methanol, 1-butanol, isobutanol, acetic acid, water, MIBK, ethyl acetate, and acetonitrile. The mole fraction of FDCA in binary mixtures increased first and then decreased with the increasing mole fraction of water. The solubility data were correlated with the UNIQUAC model, NRTL model, and WILSON model.

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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2019 · IF 2.298

Solubility Determination, Modeling, and Thermodynamic Dissolution Properties of Benzenesulfonamide in 16 Neat Solvents from 273.15 to 324.45 K

Yajun Li,Kui Wu,Lei Liang

Benzenesulfonamide (BSA) is known as an important chemical material and intermediate in chemical industry. Information concerning solid–liquid equilibrium of BSA in different solvents is essential for the development of its separation and reaction process. In this work, the equilibrium solubility of BSA in 16 neat solvents, namely, methanol, ethanol, n-propanol, isopropanol, n-butanol, isobutanol, n-pentanol, isopentanol, acetone, ethyl acetate, acetonitrile, cyclohexanone, cyclopentanone, methyl acetate, ethyl formate, and dichloromethane was determined by a static gravimetric method within the temperature range of 273.15–324.45 K under atmospheric pressure. The solubility of BSA increases with the rising temperature in all selected solvents. The obtained solubility was mathematically represented by using the Apelblat model, λh equation, nonrandom two-liquid (NRTL) equation, and the Wilson equation in order to correlate the experimental data with the adjustable parameters. The dissolution properties of BSA, including Gibbs energy (ΔdisG), molar enthalpy (ΔdisH), and molar entropy (ΔdisS) were determined according to the Wilson model and the solubility data. Positive values of the dissolution enthalpy and entropy illustrated that the dissolution processes of BSA in these solvents are endothermic and entropy-driven.

CAS / MDL: 98-10-2
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JOURNAL OF THE AMERICAN CERAMIC SOCIETY · 2012 ·Vol. 95 ·期 5 ·1544-1548 · IF 2.272

A Facile Starch-Assisted Sol–Gel Method to Synthesize K-Doped Li2ZrO3 Sorbents with Excellent CO2 Capture Properties

Qiang Xiao,Xiaodan Tang,Yijun Zhong,Weidong Zhu

A facile starch-assisted sol–gel method combined with freeze-drying technique has been developed to synthesize K-doped Li 2 ZrO 3 sorbents. SEM, TEM, and XRD techniques have been applied to characterize the morphology and structure of the synthesized K-doped Li 2 ZrO 3 samples. The CO 2 capture-regeneration properties of the prepared K-doped Li 2 ZrO 3 sample were investigated using thermogravimetric analysis at different CO 2 partial pressures. The K-doped Li 2 ZrO 3 synthesized using the starch-assisted sol–gel method combined with the freeze-drying technique shows excellent CO 2 capture properties. At 823 K and a CO 2 partial pressure of 0.25 bar, the uptake of CO 2 reaches 22 wt% within 20 min, which is approximately 87% of the stoichiometric sorption capacity (25.3 wt%) of CO 2 in the K-doped Li 2 ZrO 3 with a K:Li:Zr composition of 0.2:1.6:1 in molar ratio. Furthermore, the sorbent shows a good stability, confirmed using capture-regeneration cycles.

CAS / MDL: 9005-84-9
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JOURNAL OF MOLECULAR LIQUIDS · 2017 · IF 3.648

Liquid-liquid extraction data of methyl ethyl ketone from n-hexane using ethylene glycol at 298.15–313.15 K

Midong Shi,Liping Wang,Gaoyin He,Fan Gan,Xuemin Yu,Qingsong Li

In order to remove methyl ethyl ketone from the lower fractions of C 6 in the high temperature Fischer-Tropsch synthetic oil, the liquid-liquid equilibrium (LLE) experiments for methyl ethyl ketone   +   n-hexane   +   ethylene glycol were carried out and the LLE data were measured at 298.15, 303.15, 308.15 and 313.15   K under atmospheric pressure. The analysis results demonstrated the feasibility of separating methyl ethyl ketone from n-hexane using ethylene glycol with the extraction method . Moreover, the NRTL and UNIQUAC models were successfully applied to correlate the LLE data with RMSD′ values of 0.0197 and 0.0313, respectively, which indicated that NRTL model showed a higher accuracy.

CAS / MDL: 110-54-3
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International Journal of Nanomedicine · 2017 · IF 4.3

Targeted delivery of ginsenoside compound K using TPGS/PEG-PCL mixed micelles for effective treatment of lung cancer

Lei Yang,Zhenghai Zhang,Jian Hou,Xin Jin,Zhongcheng Ke,Dan Liu,Mei Du,Xiaobing Jia,Huixia Lv

Ginsenoside compound K (CK) is one of the effective ingredients in antitumor composition of ginsenoside. However, the poor water solubility and significant efflux have limited the widespread clinical use of CK. In this study, preparation of novel CK-loaded d -alpha-tocopheryl polyethylene glycol 1,000 succinate/poly(ethylene glycol)-poly(ε-caprolactone) mixed micelles (CK-M) is discussed to solve the above problems. Particle size, zeta potential, and morphology were characterized using dynamic light scattering and transmission electron microscopy. CK-M are spherical shaped with an average particle size of 53.07±1.31 nm with high drug loading of 11.19%±0.87% and entrapment efficiency of 94.60%±1.45%. Water solubility of CK was improved to 3.78±0.09 mg/mL, which was ~107.35 times higher than free CK. A549 and PC-9 cells were used to evaluate in vitro cytotoxicity and cellular uptake. IC 50 values of CK-M in A549 and PC-9 cells (24 h) were 25.43±2.18 and 18.35±1.90 μg/mL, respectively. Enhanced cellular uptake of CK-M was observed in both cells. Moreover, CK-M promoted tumor cell apoptosis, inhibited tumor cell invasion, metastasis, and efflux through regulation of Bax, Bcl-2, matrix metalloproteinase-2, Caspase-3, and P-glycoprotein. In vivo imaging indicated that CK-M has excellent tumor targeting effect within 24 h, and the relative tumor inhibition rate of CK-M was 52.04%±4.62% compared with control group ( P <0.01). Thus, CK-M could be an appropriate delivery agent for enhanced solubility and antitumor effect of CK.

CAS / MDL: 9002-96-4
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JOURNAL OF MOLECULAR LIQUIDS · 2014 · IF 2.083

Densities, viscosities and volumetric properties of BF3·anisole and BF3·phenetole complexes at T = (283.15 to 303.15)K

Zhenyu Bao,Weijiang Zhang,Yinglai Chen,Jiao Xu,Xianbao Cui

The densities and viscosities of BF 3 ·anisole and BF 3 ·phenetole complex were determined at T   =   (283.15 to 303.15)K under atmospheric pressure. The molar ratios of the complexes ranged from 0.0080 to 0.9588 for BF 3 ·anisole and 0.0090 to 0.9850 for BF 3 ·phenetole. The measured densities and viscosities of both complexes were well correlated by modified Guimarães' equation and extended Jones–Dole equation, respectively. The apparent molar volumes were calculated using densities, and the limiting partial molar volumes were obtained by regression analysis. Arrhenius-type equation was adopted to get viscous flow activation energy through data fitting of viscosity values.

CAS / MDL: 103-73-1
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SEPARATION AND PURIFICATION TECHNOLOGY · 2025 · IF 9

Enhancing the K-resistance of MnOx catalysts via Ce and Nb co-doping for low-temperature NOx elimination

Yanping Yang,Shengchen Li,Shunli Shi,Jie Hu,Zexi Xuchen,Shunmin Ding,Dan zhao,Shengjun Deng,Weiming Xiao,Shuhua Wang,Chao Chen

Manganese oxide (MnO x ) catalysts are promising for low-temperature NH 3 -Selective Catalytic Reduction (NH 3 -SCR) with their superior catalytic performance. However, the presence of alkali metals in flue gases, particularly potassium (K), leads to catalyst deactivation and limits their industrial application. This study investigates the synergistic effects of Ce and Nb doping on the K resistance and low-temperature NH 3 -SCR activity of MnO x . The surface acidity and redox properties of MnO x were modulated by Ce and Nb modification. In addition, the phase structure, surface state and active sites of the catalysts were characterized before and after K poisoning. The results indicated that Nb 0.05 Ce 0.05 MnO x exhibited exceptional low-temperature performance, achieving over 90 % NO conversion at 125-250°C, along with significant resistance to K poisoning·NH 3 -TPD and in-situ experiments revealed that the loss of acid sites is the primary cause of K poisoning. The mechanism follows the L-H mechanism with L-acid sites as the main active sites on the catalyst surface and bridging nitrate as the key intermediate state. This research provides valuable insights into enhancing the industrial applicability of MnO x- based catalysts for low-temperature denitrification.

CAS / MDL: 638-38-0
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CHEMICAL ENGINEERING JOURNAL · 2024 · IF 13.3

Exploring the mechanism of alkali metal K-catalyzed biomass char gasification using in-situ DRIFTS and molecular simulation

Deng Zhao,Yu Wang,Guanwei Wang,Wenming Han,Hua Liu,Huashan Wang,Hui Liu,Shuai Guo

Although alkali metal potassium (K)-catalyzed char gasification has been widely studied, the detailed mechanism of this process is still not fully understood. To study this catalytic mechanism in more detail, high-temperature in-situ DRIFTS experiments were carried out for the gasification of cellulose char with K and cellulose char without K under H 2 O and O 2 atmospheres, transient gasification experiment of char with K under H 2 O atmosphere, and char with K gasification under isotope water atmospheres. Peaks at 1945 cm −1 and 2020 cm −1 were observed. Combined with the theoretical spectra obtained by quantum chemical simulations and the prediction of catalytic gasification intermediates by molecular dynamics simulations, these two peaks were confirmed to represent char-polyynes species. Based on this result, a new mechanism is proposed: K interacts with carboxyl groups and aromatic ketones to promote desorption, thereby exposing active sites. Then, K reacts with the edge of the activated char to form numerous highly active char-polyynes species. The polyynes edge of this char-polyynes phase provides ideal adsorption–desorption sites, enabling further reaction with the gasifier. Thus, gas desorption is promoted. The adsorption and desorption peaks of catalytic gasification under the H 2 O atmosphere were located at 1400 cm −1 and 1300 cm −1 , and these peaks represented stable adsorption states and unstable desorption precursors, respectively. Based on this, adsorption–desorption theory was analyzed more comprehensively, and the adsorption–desorption process was divided into three stages: initial adsorption, intermediate conversion, and desorption. The comprehensive new mechanism proposed in this paper provides a better understanding of the nature of char catalytic gasification at a deeper level.

CAS / MDL: 9004-34-6 584-08-7
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