JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2017
·
IF 2.323
Yüfang Wu,Xiaolu Zhang,Yanchao Di,Yu Kang,Li Bai
The solubility of p-toluenesulfonamide and o-toluenesulfonamide in seven monosolvents of methanol, ethanol, n-propanol, isopropanol, n-butanol, acetonitrile, and ethyl acetate were measured by using the isothermal saturation method at temperatures ranging from 283.15 to 318.15 K under 101.3 kPa. The mole fraction solubility of p-toluenesulfonamide and o-toluenesulfonamide in those selected monosolvents increased with the increase in temperature. The maximum mole fraction solubility of o-toluenesulfonamide was observed in ethyl acetate (0.07748 at 318.15 K), followed by that in acetonitrile (0.07368 at 318.15K), methanol (0.05790 at 318.15 K), ethanol (0.04564 at 318.15 K), n-propanol (0.04271 at 318.15 K), isopropanol (0.04142 at 318.15 K), and n-butanol (0.03879 at 318.15 K). For p-toluenesulfonamide + solvents systems, the maximum mole fraction solubility was observed in acetonitrile (0.1588 at 318.15 K), followed by that in ethyl acetate (0.1329 at 318.15K), methanol (0.1043 at 318.15 K), ethanol (0.09142 at 318.15 K), n-propanol (0.06888 at 318.15 K), isopropanol (0.05092 at 318.15 K) and n-butanol (0.05645 at 318.15 K). The measured solubility data were correlated and calculated by using the modified Apelblat equation, Buchowski–Ksiazaczak λh equation, Wilson model, and NRTL model. The largest values of relative average deviations (RAD) and the root-mean-square deviations (RMSD) between the experimental and calculated solubility were 0.87 × 10–2 and 8.46 × 10–4, respectively. On the basis of the obtained solubility, the standard enthalpy of solution (ΔHsolo), the standard Gibbs energy (ΔGsolo) of solution, and the standard entropy of solution (ΔSsolo) of p-toluenesulfonamide and o-toluenesulfonamide dissolved in monosolvents were calculated. The results show that the dissolution of p-toluenesulfonamide and o-toluenesulfonamide in these monosolvents is a spontaneous process. The correlation and curve fitting results indicated good correlation of the experimental solubility data of p-toluenesulfonamide and o-toluenesulfonamide with the modified Apelblat model. Therefore, the experimental solubility and correlation equations established in this study can be useful in the crystallization, purification in laboratories, and related industries.
研究领域:
化学工程
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物理化学
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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2019
·
IF 2.298
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.
研究领域:
化学工程
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物理化学
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DOI
高影响因子
RSC Advances
·
2019
·Vol. 9
·期 31
·17658-17663
·
IF 3.049
Xiong Wei,Ma Wei,Zhang Shufen
Herein, a new kind of hetero-bifunctional reactive dyes with high light-fastness was designed and synthesized by introducing benzene sulfonamide and its derivatives into the triazine ring. Benzene sulfonamide or its derivatives and 2-amino-5-naphthol-7-sulfonic acid (J-acid) were condensed with cyanuric chloride to synthesize coupling components, which were then coupled with the diazo salt of 4-(β-sulfatoethylsulfonyl)aniline. The dyes were characterized by IR spectroscopy and MS. The color fastness test proved that the light-fastness of the dyes could be improved by 1 grade via the introduction of benzene sulfonamide derivatives into the triazine ring when compared with the case of the control dyes. Fluorescence spectra demonstrated that after the introduction of benzene sulfonamide derivatives, the dye molecule could return to the ground state from the excited state and emit fluorescence; in addition, the introduced benzene sulfonamide derivatives helped to deteriorate the adverse effect of UV light on the dye. Moreover, the dyeing results showed that the dyes containing the sulfonamide groups had equal dyeing properties when compared with that of the control dyes.
研究领域:
染料化学
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材料科学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2019
·
IF 2.298
Kui Wu,Yajun Li
The solid–liquid equilibrium data of o-toluenesulfonamide in 16 pure organic solvents, including methanol, ethanol, n-propanol, isopropanol, n-butanol, isobutanol, n-pentanol, isopentanol, acetone, ethyl acetate, acetonitrile, cyclohexanone, cyclopentanone, methyl acetate, ethyl formate, and dichloromethane, were measured by a static gravimetric method with the temperature ranging from 273.15 to 323.85 K under atmospheric pressure. The results showed that the solubility of o-toluenesulfonamide increased with the increasing temperature in all the solvents studied. The experimental solubility data were correlated by the modified Apelblat equation, λh equation, nonrandom two-liquid (NRTL) equation, and Wilson equation. All the models could be well employed, and the NRTL model gave the best fitting results.
研究领域:
化学工程
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热力学
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DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
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2020
·
IF 5.065
Kui Wu,Yajun Li
The synthesis and separation processes of chemical intermediate is based on the knowledge of its solid-liquid phase equilibrium with solvents in industry. In this work, the solubility of 2-chlorobenzenesulfonamide in 16 single pure solvents including methanol, ethanol, n -propanol, isopropanol, n -butanol, isobutanol , acetone, 2-butanone, 2-pentanone, cyclohexanone , cyclopentanone , ethyl acetate , methyl acetate , ethyl formate , acetonitrile and tetrahydrofuran was determined at temperature range from 273.15 to 324.65 K and atmospheric pressure. The mole fraction solubility of 2-chlorobenzenesulfonamide in all selected mono solvents was enhanced by an increase in temperature. In addition, the experimental data were further correlated by the modified Apelblat equation, λh equation, NRTL model and Wilson model. The values of RAD with NRTL equation were smaller than those with other three models, and thus the NRTL model offered the best fitting performance. The thermodynamic functions of dissolution including enthalpy, entropy, and Gibbs energy were derived, and the results expectedly suggested a spontaneous and entropy-driven mixing process. All the crystallographic and thermodynamic data reported in this study provides the fundamental data for designing and optimizing of the reaction and crystallization processes of 2-chlorobenzenesulfonamide.
研究领域:
化学工程
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物理化学
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DOI
高影响因子
Journal of Environmental Chemical Engineering
·
2024
·
IF 7.4
Ruzhen Zhao,Manxing Huo,Qifeng Wei,Xiulian Ren
Ensuring a continuous and sustainable supply of lithium requires the development of green and efficient separation processes, such as liquid-liquid extraction for primary sources. In this work, a green method of extracting Li + from Qinghai old brine by using benzene sulfonamides is proposed. The method forms a green extraction system by hydrogen bonding between long-chain alcohol and benzene sulfonamide substance N221. It is proved that the formation of hydrogen bond promotes the ionization of N221 by means of conductivity measurement, equilibrium constant calculation, molecular dynamics simulation . This system has an obvious attraction to Li + , and the highest extraction efficiency of Li + can reach 95 %, and amine substances are added to maintain the pH of the system. The extraction effect is comparable to TBP (tributyl phosphate) and functional ionic liquid . After stripping, Li + enters the aqueous phase, and the separation effect is desirable. Therefore, a new green extractant is proposed in this study, which provides a new idea for green and environmentally friendly lithium extraction .
研究领域:
化学工程
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环境科学
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材料科学
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DOI
高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
·
2024
·
IF 8.1
Ruzhen Zhao,Hao Sun,Lijuan Liu,Qifeng Wei,Xiulian Ren,Ziwen Ying
Lithium and its compounds are important strategic resources for the economy and national defense construction. In the Chinese lithium industry, Qinghai old brine, which is the main source of Li + , contains Mg 2+ as much as 125.6743 g/L, and the effective separation of these two elements has been a challenging task. We designed and synthesized a benzene sulfonamide acid substance N221 with stronger acidity and steric hindrance to effectively extract Li + in high Mg/Li solution. The existing acidic extractants include P204, P507 and Cyanex272, among which N221 has the highest β Li/Mg value and E Li (%) value. The thermodynamic properties of the reaction between N221 and metal ions was explored by means of thermodynamic equilibrium constant and quantum chemical calculation. A large amount of Mg 2+ in salt-lake promoted the extraction of Li + , and the mechanism was revealed by mean of molecular dynamics simulations. After stripping, the final Mg/Li (mol/mol) decreased from 15.80 in the Qinghai old brine to 1.27, which meets the conditions of further refining and can obtain high-purity lithium products. A process for separating Li + from Mg 2+ by benzene sulfonamide acid substance is proposed in this study, and the reasons are explained in depth from the experiments and molecular dynamics simulations. Hence, it can be foreseen that this study also has broad application prospects in the recovery of lithium from spent lithium-ion batteries containing a variety of high-valence metal ions.
研究领域:
化学工程
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材料科学
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DOI
高影响因子
ELECTROCHIMICA ACTA
·
2024
·
IF 5.5
Chengdong Fang,Yuhang Zhang,Yixuan Li,Pengfei Sun,Liping Cui,Jiajia Chen
Polymer electrolyte is an attractive material for constructing high-performance solid-state batteries. However, the overall low room-temperature ionic conductivity and low transference number impede the practical application of polymer electrolyte. Ion-dipole interaction, as non-covalent interactions, has the potential to regulate Li + coordination. It will contribute to the selectivity filter of ion conduction and improve overall ion conduction performance. Herein, we introduced benzene sulfonamide (BS) and N-methylbenzenesulfonamide (NBS) into PEO-LiTFSI complexes, respectively. The ion-dipole interactions of Li···-N-H might be provided by the organic molecules. Due to the difference in the molecular structure between BS and NBS, the stronger ion-dipole interactions between NBS and Li + could significantly improve the coordination of Li + . As a result, PEO-LiTFSI-NBS delivers an extraordinary ionic conductivity of 1.08 × 10 −4 S cm −1 at 30 °Ϲ and a high lithium ion transference number of 0.77. When employed in assembling LiFePO 4 |Li solid-state battery, the specific discharge capacity could reach 151.90 mAh g −1 with a high coulombic efficiency of around 99.92 % at 50 μA cm −2 (35 °Ϲ).
研究领域:
材料科学
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电化学
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产品关联
DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
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2019
·
IF 4.561
Kui Wu,Yajun Li
The solid-liquid equilibrium data and solution thermodynamics of chemicals are indispensable for the synthesis and purification of crystalline products in industry. The selection of a solvent directly influences the yield and purity of a product. In this work, the solubility of p -toluenesulfonamide ( p -TSA) in 16 pure solvents, 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 at temperatures ranging from 273.15 to 324.75 K under atmospheric pressure. The results indicate that the mole fraction solubility of p -TSA increased with increasing temperature in all 16 solvents. The solubility value in the selected alcohols ranks in the following order: methanol > ethanol > n -propanol > isopropanol > n -butanol > n -pentanol > isopentanol > isobutanol , and the polarity of a solvent seems to be an important factor influencing the solubility of p -TSA in alcohols. In the other eight solvents, the solubility sequence is cyclopentanone > acetone > cyclohexanone > (acetonitrile, methyl acetate) > ethyl acetate > ethyl formate > dichloromethane , which strongly deviates from the order of solvent polarities. Then, the measured solubility data were correlated with four thermodynamic models, i.e., the modified Apelblat equation, λh equation, non-random two-liquid (NRTL) equation and the Wilson equation. Overall, the NRTL model provided the most satisfactory fitting results. Furthermore, the dissolution thermodynamic parameters, Gibbs energy (△ dis G ), molar enthalpy (△ dis H ) and molar entropy (△ dis S ) were calculated according to the Wilson model. The values of △ dis H and △ dis S are positive in all selected solvents, showing that the dissolution process of p -TSA in the selected solvents is endothermic and entropy-driven. The △ dis G values are negative in all selected solvents and decrease with increasing temperature, which demonstrates that dissolution of p -TSA in the selected solvents is favorable and spontaneous.
研究领域:
化学工程
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物理化学
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DOI
高影响因子
BIOORGANIC CHEMISTRY
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2020
·
IF 4.831
Jia-Qi Li,Cheng Chen,Min Yao,Le-Yun Sun,Han Gao,Jiazhu Chigan,Ke-Wu Yang
Given that β-lactam antibiotic resistance mediated by metallo-β-lactamases (MβLs) seriously threatens human health, we designed and synthesized nineteen hydroxamic acids with benzenesulfonamide, which exhibited broad-spectrum inhibition against four tested MβLs ImiS, L1, VIM-2 and IMP-1 (except 6 , 13 and 18 on IMP-1, and 18 on VIM-2), with an IC 50 value in the range of 0.6–9.4, 1.3–27.4, 5.4–43.7 and 5.2–49.7 µM, respectively, and restored antibacterial activity of both cefazolin and meropenem, resulting in a 2–32-fold reduction in MIC of the antibiotics. Compound 17 shows reversible competitive inhibition on L1 with a K i value of 2.5 µM and significantly reduced the bacterial load in the spleen and liver of mice infected by E. coli expressing L1. The docking studies suggest that 17 tightly binds to the Zn(Ⅱ) of VIM-2 and CphA by the oxygen atoms of sulfonamide group, but coordinates with the Zn(II) of L1 through the oxygen atoms of hydroxamic acid group. These studies reveal that the hydroxamic acids with benzenesulfonamide are the potent scaffolds for the development of MβL inhibitors.
研究领域:
药理学
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微生物学
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药物化学
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产品关联
DOI
PubMed
高影响因子
ORGANIC ELECTRONICS
·
2025
·
IF 2.6
YanChao Xu,Xingchong Liu,Yongshan Peng,Tanggui He,Anmin Tang,Haimin Li,Hanyu Wang
Tin dioxide (SnO 2 ) is a promising material for the electron transport layer in n-i-p perovskite solar cells, but its performance is limited by internal defects and band misalignment with the perovskite layer. In this study, para-hydroxybenzenesulfonamide (PCBS) was used to modify the buried interface between SnO 2 and perovskite. The -COOH and S=O groups in PCBS passivate the -OH and Sn in SnO 2 , respectively. Meanwhile, the -NH 2 group passivates the excess Pb 2+ within the perovskite film. The PCBS modification enhances the hydrophobicity of the SnO 2 surface, promoting the growth of high-quality, large-grain perovskite films, thereby significantly suppressing non-radiative recombination in perovskite solar cells (PSCs). Moreover, the PCBS modification introduces better energy-level alignment between the SnO 2 and perovskite layers, enabling more efficient electron extraction. Finally, the PCBS interface enhanced the power conversion efficiency (PCE) of PSCs to 21.47%. After 1440 hours of storage in a N 2 atmosphere, the unencapsulated PSCs with interface alteration kept 93.9% of their original value. These results indicate that burying the perovskite layer with PCBS is a promising strategy to improve the performance of PSCs.
研究领域:
材料科学
·
能源技术
·
光伏器件
✓ 已验证
DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2024
·
IF 5.3
Wuhua Chen,Yefei Wang,Mifa Chen,Mingchen Ding,Shizhang Cui
Using acrylamide (AM), sulfobetaine methacrylate (SBMA), glycidyl methacrylate (GMA), and N , N -diallyl-4-dodecyl benzene sulfonamide (DBDAP) with long carbon chain and benzene ring as monomers, polymer P(ASGD) was prepared by free-radical micellar copolymerization. Benzimidazole is a heterocyclic aromatic organic compound and it shows similar polarity and structure with asphaltene, by undergoing a ring open reaction between epoxy groups on polymer P(ASGD) and amino groups on 2-aminobenzimidazole(AMZ), a novel amphiphilic polymer named HOVR was obtained. The chemical structure and thermodynamic stability of HOVR were evaluated using FT-IR, 1 H NMR and TGA analyses, respectively. Meanwhile, polymer P(ASD) without benzimidazole group, P(ASG) without benzene sulfonamide group, and P(AS) without these two functional groups were synthesized and compared with the properties of HOVR. The potential of polymers for enhancing heavy oil recovery including rheological properties, interfacial activity, wettability alternation, and viscosity reduction ability of heavy oil were studied. In the presence of HOVR, hydrogen bonding and π-π stacking interactions can be formed between HOVR and asphaltene molecules, then the overlapping and stacking structure of asphaltene aggregates collapsed, coupled with the reduction of IFT, the heavy oil was emulsified to form O/W emulsion with small size and uniform distribution, so the viscosity reduction rate (VRR) achieved 95.1 % for 2000 mg/L HOVR at 60 °C and oil/water ratio of 5:5, while the VRR of P(AS), P(ASD) and P(ASG) is 63.5 %, 84.2 % and 83.4 %. Meanwhile, the synergistic effects of benzimidazole and long alkyl benzene sulfonamide enabled HOVR to possess superior ability in increasing aqueous phase viscosity and shifting oil-wetting solid surface towards water-wetting compared with other three polymers. The reversal of wettability can convert capillary resistance into driving force during the displacement process. The oil displacement experiments in core-flooding tests indicated that the cumulative recovery rate was increased by 19.2 %, 11.2 %, 10.2 % and 7.7 % for polymer HOVR, P(ASG), P(ASD) and P(AS) with concentration of 2000 mg/L. The superior efficiency of heavy oil displacement by HOVR is attributed to the enhancements in macroscopic sweep volume and microscopic displacement efficiency, as confirmed by the glass-etched micro-model experiment, and NMR test conducted during the oil displacement process.
研究领域:
石油工程
·
高分子化学
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产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）