JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2025
·
IF 2.1
Cunzhi Zhao,Chuang Xie
The solubility of herbicide topramezone (TOP) in 16 pure solvents (methanol, ethanol, n-propanol, isopropanol, n-butanol, isobutanol, methyl acetate, ethyl acetate, n-propyl acetate, isopropyl acetate, n-butyl acetate, acetone, acetonitrile, acetonitrile, tetrahydrofuran, and toluene) was measured by the gravimetric method over temperatures ranging from 283.15 to 323.15 K at 0.1 MPa. With an increase in temperature, the solubility of TOP also increased in all solvents. Isopropanol exhibited the lowest solubility at 283.15 K, whereas tetrahydrofuran showed the highest solubility at 323.15 K. The solvent effects, including polarity, hydrogen bond donor propensity, hydrogen bond acceptor propensity, and cohesive energy density, were used to analyze the solubility of TOP in various solvents. For the effect of solvent type on solubility, hydrogen bond donation is dominant in alcoholic solvents, whereas hydrogen bond acceptors are dominant in nonalcoholic solvents. The experimental solubility data were correlated with four models, namely, the modified Apelblat equation, λh equation, van’t Hoff equation, and NRTL equation, with a relative deviation of less than 5%. Furthermore, mixing thermodynamic properties of TOP in selected solvents were calculated by the NRTL model, which showed that the mixing process was spontaneous and entropy driven.
研究领域:
化学工程
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药学
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DOI
高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2017
·
IF 2.843
Weiting Ma,Yufeng Hu,Jianguang Qi,Lihu Wei,Xianming Zhang,Zhenyu Yang,Siqi Jiang
The effects of solvent, acid specificity, acid concentration, added salt, and reaction temperature on the yields of trioxane and formic acid (byproduct) in paraformaldehyde + acid (or acid + salt) + aprotic solvent were investigated. The mechanism that underlies the yield of paraformaldehyde and the selectivity of trioxane was determined. A highly practical and efficient synthesis of trioxane by a salt-mediated and acid-catalyzed yield of paraformaldehyde in sulfolane media was developed. The method increased the yield of paraformaldehyde by more than 5 times and decreased the formic acid concentration by 10 times compared to the commercial synthesis of trioxane in an aqueous reaction system (formaldehyde + H2SO4 + H2O).
研究领域:
有机化学
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工业化学
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DOI
高影响因子
JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY
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2017
·Vol. 17
·期 2
·1204-1209
·
IF 1.483
Zheng Yan,Wang Junpeng,Yang Ping
Anatase TiO2 with exposed {001} facets were synthesized via solvothermal method by using titanium (IV) butoxide as Ti source, hydrofluoric acid as capping agent and alcohol as solvent. Different alcohols such as methanol, ethanol, isopropyl alcohol, and n-butanol were investigated
systematically. As-prepared samples were characterized by X-ray diffraction, field emission scanning electron microscope and transmission electron microscope. The results indicated that regular TiO2 nanosheets were created from ethanol and isopropanol alcohol even though the size
and thickness changed. However, TiO2 nanosheets were attached together in methanol and n-butanol. The reasons of solvent effect the morphology and properties of TiO2 crystals exposed {001} facets have been discussed. The photocatalysis investigation of samples was carried
out by degradating methyl orange under ultraviolet light irradiation. TiO2 nanosheets obtained in ethanol solvent exhibited superior photocatalytic performance compared with other samples. The reasons could attribute to TiO2 nanosheets obtained in ethanol solvent with
higher specific surface area, mesoporous structure, and exposed highly active {001} facets.
研究领域:
材料科学
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环境科学
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DOI
PubMed
高影响因子
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
·
2020
·Vol. 22
·期 10
·5702-5710
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IF 3.43
Fei Yao,Nan Gong,Wenhui Fang,Zhiwei Men
Halogen bonding, an attractive interaction that is analogous to hydrogen bonding, has been widely investigated by computational methods. However, halogen bonding in solution is hard to study by spectroscopic techniques since the intermolecular interaction often gives overlapping bands and may be difficult to interpret. The traditional interpretation of iodomethane–ethanol mixtures considered only hydrogen bonding effects and the experimental investigation was limited. Here, we employed near-infrared (NIR) spectroscopy, Raman, density functional theory calculation, and two-dimensional (2D) correlation analysis to find evidence of the halogen bonding in iodomethane–ethanol mixtures. Our results suggest that the blue-shifting C–I stretching band is probably due to the cooperative influence from halogen bonding, hydrogen bonding, and the solvent effect, while the O–H band is a cumulative band from three dimer complexes. The 2D correlation spectra further validate the hypothesis above and reveal the interaction evolution from the ethanol-rich region to the iodomethane region. These results indicate that the unique nature of the iodomethane–ethanol mixture and the larger σ-hole strengthen the halogen bond, leading to particular spectroscopic results which are different from those of the other halogenated alkanes.
研究领域:
物理化学
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光谱学
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DOI
PubMed
高影响因子
Nanoscale
·
2021
·Vol. 13
·期 14
·6846-6855
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IF 7.79
Xiaokai Xu,Guangqi Hu,Luoqi Mo,Yadong Li,Haopeng Wei,Bingfu Lei,Xuejie Zhang,Chaofan Hu,Jianle Zhuang,Yingliang Liu
The mechanism of the solvation-dependent multicolor luminescence of carbon dots (CDs) is not clear, despite the fact that multicolor luminescent CDs have important applications in many fields. In this article, we report solvated chromogenic CDs with productivity of up to 57%. The luminescence of the CD particles exhibits a regular redshift in N,N-dimethylformamide (DMF), ethanol, water, and acetic acid. The redshift of the CDs may be ascribed to the linking of the CD surfaces to the solvent through hydrogen bonds (HB). Different surface level states are formed by HB between the surfaces of the CDs and the solvent, and differences in dispersion states lead to different energy resonance transfer (ETR) efficiencies. The CDs/B2O3 composite exhibits excellent fluorescence thermal stability, and it has also been used to manufacture white-light-emitting devices with a high color rendering index of 87. Additionally, the excellent solvation effects of the CDs have application prospects in the detection of the water content in organic solvents. Finally, the CDs are used to realize cell imaging and positioning, which has significant application prospects in biological fields.
研究领域:
材料科学
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生物医学
·
光学
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DOI
高影响因子
Molecular Catalysis
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2025
·
IF 4.9
Weitao Wang,Kang Wang,Huan Wang,Jiaqi Zhu,Zhen-Hong He,Zhao-Tie Liu
Selective oxidation of benzyl alcohol to benzaldehyde with molecular oxygen is a typical oxidation in synthetic chemistry. In present, Mn-Cu bimetal oxide spinel catalyst was prepared and characterized. The content of surface oxygen vacancies can be adjusted by the molar ratio of Cu to Mn during the preparation process and oxygen vacancies were found positively related to the activity of entitled reaction. The solvent effect on the reaction is investigated. The reaction conditions of the entitled reaction were optimized and the conversion of benzyl alcohol can reach 98.5 % with 100 % selectivity to benzaldehyde at 70°C for 8 h. The catalyst is stable and can be reused for 5 times without any significant decrease in its catalytic performance. In addition, the reaction was studied from the aspect of kinetic to reveal the reason of high selectivity.
研究领域:
催化化学
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材料科学
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产品关联
DOI
高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
·
2025
·
IF 9
Junfeng Kong,Huazhen Cao,Wenhua Xu,Weilun Qian,Lining Yu,Anyang Tang,Zhengzheng Liu,Huibin Zhang,Guoqu Zheng
The depth-separation of arsenic from antimony is crucial for achieving high-purity antimony metal. Chlorinated distillation has shown to effectively lower arsenic levels to just a few ppm, making it a promising method for arsenic impurity removal. However, many aspects of the deep separation mechanism of arsenic remain unexplored, posing technical barriers to effective arsenic removal in high-purity antimony production. This work introduces a “chlorine/oxygen affinity selective distillation” model to elucidate the mechanism underlying arsenic and antimony separation in chloride systems. Through thermodynamic analysis and quantum chemistry calculation, we demonstrate that arsenic species in different oxidation states exhibit markedly distinct affinities for chlorine and oxygen. The critical factor is the change in the solvation structure of As 3+ as it interacts with Cl − , while the strong binding affinity between As 5+ and oxygen inhibits chloride-mediated desolvation. Thus, HCl concentration plays a pivotal role in enhancing the separation efficiency of As 3+ from Sb 3+ . Experimental results reveal that increasing HCl concentration from 5 mol/L to 7 mol/L boosts arsenic removal efficiency by 5.7 %. This mechanism may offer broader applications for the efficient separation of similar elements in chloride systems.
研究领域:
冶金学
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化学工程
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DOI
高影响因子
MATERIALS CHEMISTRY AND PHYSICS
·
2020
·
IF 3.408
Lei Cheng,Puxuan Yan,Xiulin Yang,Huahong Zou,Hu Yang,Hong Liang
Deeply understanding the structure and electrical properties of ZIF-8 is very important due to many practical applications of porous materials . We present the crystal structure and microstructure details of ZIF-8 prepared in three different solvents. The solvents play an important role on grain growth of ZIF-8, furthermore, a small fraction of monoclinic phase can be found in the ZIF-8s prepared in water or in amonium hydroxide. Radio-frequency dielectric and impedance spectra studies of dynamic dielectric response of ZIF-8s indicate two additional dielectric relaxation processes associated with the introduced water molecules in as-prepared samples. The dielectric response can be described by the combination of the dc conductivity, the universal dielectric response, the Cole-Cole relation and intrinsic response. The results exhibit the solvents make an important influence on the electrical properties due to different contents water in ZIF-8s. Our results will pave a way to modify the dielectric property of ZIF-based dielectrics in radio-frequency applications.
研究领域:
材料科学
·
电学性质研究
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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2024
·
IF 2
Shouxiang Jiang,Kai Fu,Xiangyu Sun,Xin Huang,Wenjun Xie,Chengfei Wang,Haoran Li,Xia Jiang,Yongjin Zou,Gengxiu Zheng,Guan Wang
The solubilities of glutathione in four binary solvent mixtures (water + acetone, water + 1,4-dioxane, water + acetonitrile, and water + tetrahydrofuran) were measured using a dynamic laser monitoring method at temperatures ranging from 278.15 to 318.15 K. The molar fraction solubility of glutathione in the binary solvent increased with increasing water content and temperature. The modified Apelblat, CNIBS/R-K, Van’t Hoff–Jouyban–Acree, Apelblat–Jouyban–Acree, and NRTL were applied to calculate the solubility of glutathione in these mixtures. The relative average deviation and root-mean-square deviation indicated a good correlation between the experimental and model solubility data. In addition, the KAT-LSER model was used to evaluate the solvent effect in the solvent–solvent and solvent–solute interactions. The results showed that the nonspecific dipolarity/polarizability interactions between the solvent and the solute were the main influencing factors, followed by the hydrogen bonding interactions between the solvent and the solute.
研究领域:
药物化学
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物理化学
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产品关联
DOI
高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2024
·
IF 3.8
Jie Chen,Chunlei Qin,Shengzheng Guo,Yuechao Cao,Songgu Wu,Junbo Gong
Probenecid (PB), as a pharmacotherapeutic agent for treating gout, confronts challenges associated with heterogeneous particle size distribution and irregular morphology, impacting postprocessing efficiency. Therefore, further investigation of the nucleation behavior of PB is necessary to address these issues. The nucleation behavior of PB in four solvents was investigated using metastable zone width (MSZW) experiments, the Nývlt model, and the modified Sangwal’s theory. The results revealed that the MSZW broadened, and the interfacial energy (γ) and pre-exponential factor (A) increased with higher cooling rates and lower saturation temperatures. As the chemical potential increases, the critical nucleus size (rcrit) and Gibbs free energy (ΔGcrit) decrease. Infrared (FTIR) spectral analysis suggested that the distinct nucleation behavior of PB in various solvents can be attributed to the competition between intermolecular interactions, predominantly hydrogen bonding and dimerization. Radial distribution function (RDF) analysis and solvation energy calculation suggested that the nucleation behavior becomes more difficult as the solute–solvent intermolecular interactions become stronger.
研究领域:
药学
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物理化学
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产品关联
DOI
高影响因子
Nanoscale
·
2017
·Vol. 9
·期 42
·16375-16385
·
IF 7.367
Shengju Zhou,Lin Wang,Mengjun Chen,Baoyong Liu,Xiaofeng Sun,Meirong Cai,Hongguang Li
Superstructures from fullerene C60-containing compounds, especially those tethered to rigid functional groups with defined shapes, remain largely unexplored. Being the smallest diamondoid, adamantane (Ad) can be viewed as a promising building block for the construction of well-defined superstructures. Here, we report the syntheses of 1 : 1 (4a) and 2 : 1 (4b) Ad-C60 hybrid molecules, which were then used to construct superstructures in binary solvent mixtures via a modified liquid/liquid interfacial precipitation (LLIP) method using CHCl3 as a good solvent. Typically in the combination of DMSO/CHCl3 with a final concentration (cf) of 1.0 mmol L−1, 4a successively forms spheres, plates, nanoflowers and plicated particles with increasing content of DMSO while 4b forms cuboid blocks and microparticles with hierarchically organized surfaces. Changing from DMSO to other poor solvents including acetone, MeOH and EtOAc leads to variations of the morphology of the superstructures for both 4a and 4b. At the nanometer length scale, 4a and 4b adopt different organizations within the superstructures. While 4a tends to self-organize into lamellae with highly ordered C60 layers, the hexagonal phase is dominant in the superstructures formed by 4b. Wettability tests indicate that films formed by the superstructures of 4a and 4b show anti-wetting properties. Besides the solvent effect, the morphology of the superstructures can be also tuned by concentration. For example, when cf is lowered to 0.5 mmol L−1, a new form of superstructure, i.e., fibers, was detected for 4a. Our results also indicate that besides the solvent-induced aggregate transition, gravity-induced sedimentation and subsequent structure ripening can have a significant influence on the final morphology of the superstructures and the aggregate transition pathways.
研究领域:
材料化学
·
纳米科学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Materials Today Chemistry
·
2024
·
IF 6.7
Wanrong Zou,Jiurong Li,Xiao Gong
This paper presents a straightforward synthesis strategy for N, S co-doped carbon nanodots (N, S-CDs), aiming to achieve CDs emitting ultra-wide redshifts while obtaining excellent metal ion detection performance. The N, S-CDs display excellent fluorescence (FL) emission independence regardless of the excitation wavelength or concentration. By introducing a single dopant thiourea, the FL emission of CDs was red-shifted from 445 to 575 nm (∼130 nm). The doped N and S elements are discovered to cause the introduction of defective energy levels and an elevation in oxidation on the surface of CDs, which could potentially be the crucial factor for the ultra-wide redshift of FL emission. Also, it is investigated that solvent engineering is essential for the redshift of the emission peak, which can also be an effective way to synthesize multicolor CDs. Furthermore, the N, S-CDs can be utilized for measuring the water content in methanol solvent based on their solvent effects. Additionally, N, S-CDs have the capability of detecting Mn 2+ with high selectivity and sensitivity. The interaction of CDs with Mn 2+ resulted in an obvious change in both the UV absorption spectrum and FL lifetime. To put it differently, the reaction mechanism between CDs and Mn 2+ probably includes mixed processes of dynamic and static quenching. Zeta potential tests additionally indicate that the FL quenching is strongly correlated with the surface condition of CDs. The outcomes and discoveries offer a fresh and viable method for achieving the simultaneous production of long-wavelength glowing CDs and their analysis and detection of metal ions as fluorescent probes.
研究领域:
材料科学
·
分析化学
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产品关联
DOI
高影响因子
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