CHINESE JOURNAL OF CHEMICAL ENGINEERING
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2022
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IF 3.898
Dandan Ren,Shanshan Xiang,Yuwen Yan,Ruiying Kong,Xingchu Gong
Sinomenine hydrochloride is generally produced from Caulis Sinomenii . At present, the purification process in industrial production suffers from large amount of solid waste, high solvent toxicity, and low sinomenine hydrochloride yield. In this study, a new purification process for sinomenine hydrochloride was proposed by using the extract obtained from acid extraction of Caulis Sinomenii as the starting material. The process included the following steps: alkalization, extraction, water washing, acid–water stripping, drying, and crystallization. 1-Heptanol was used as the extractant. The distribution coefficients of sinomenine and sinomenine hydrochloride in 1-heptanol–water system were 27.4 and 0.0167, respectively. The dissociation constants of sinomenine hydrochloride were 8.27 and 11.24, respectively. Process parameters of the new purification process were optimized with experimental design. The extractant 1-heptanol and sinomenine hydrochloride in the crystallization mother solution can be recycled in the new process. The purity of the obtained sinomenine hydrochloride crystals exceeded 85%, and the yield was about 70%. Compared with current industrial processes, safer extractant, less solid waste, and higher sinomenine hydrochloride yield can be achieved using the new purification process of sinomenine hydrochloride provided in this study.
研究领域:
中药化学
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制药工程
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高影响因子
ChemCatChem
·
2023
·Vol. 15
·期 19
·e202300703
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IF 4.5
Xinzheng Ma,Luyao Guo,Ziang Zhao,Yu Meng,Xiaoling Mou,Ronghe Lin,Yihui Li,Li Yan,Hejun Zhu,Yunjie Ding
Graphical Heptanol oxidation : Melamine modification of commercial activated carbon can greatly tune the performance of Pt−Bi catalysts in n -heptanol oxidation. C 3 N 4 -modified AC favors the formation of PtBi alloy in comparison to N-doped AC, and consequently boosts the activity and selectivity to heptanoic acid. Different bimetallic platinum and bismuth catalysts supported on melamine-modified activated carbon (AC) are designed by a co-impregnation method. Through controlling the activation temperatures of the melamine−AC mixture, a series of N-doped and C 3 N 4 -modified AC (N−AC and C 3 N 4 −AC) are prepared. Combined powder X-ray diffractions, X-ray photoelectron spectroscopic, and high-angle annual dark-field scanning transmission electron microscopic studies demonstrate that the introduction of C 3 N 4 favors the formation of PtBi alloy and leads to increased particle sizes in comparison to the pristine and N-doped AC-supported bimetallics. The catalytic performance of the developed catalysts is evaluated in the oxidation of n -heptanol oxidation in a batch mode using O 2 as the oxidant. PtBi/C 3 N 4 −AC exhibits significantly boosted activity as well as selectivity to heptanoic acid as compared with the other catalysts. A high yield of heptanoic acid of 69 % can be achieved under the optimized reaction conditions. Furthermore, our work points to the PtBi alloy as the most active sites for the alcohol oxidation. Catalyst deactivation occurs in the cycling tests, mainly due to the collapse of the alloy phase and likely the decrease in particle sizes.
研究领域:
催化化学
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材料科学
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高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2023
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IF 2.6
Jiajun Wei,Lingxiao Yi,Wang Yuxin,Erkang Li,Zhen Yujie,Fangyu Zhang,Xinlei Niu,Jinshan Wang,Deming Zhao,Yingmin Yu
Liquid–liquid equilibrium (LLE) measurements were conducted at a temperature of 298.2 K and a pressure of 101.3 kPa for the ternary system consisting of 1,3-propanediol, 2-propyl-1-heptanol, and various extractants (n-hexane, vinyl acetate, ethyl benzene, and water). By calculating the distribution constant (D) and selectivity (S) in each system, the ability of four extractants to separate the mixture of 1,3-propanediol and 2-propyl-1-heptanol was compared. Furthermore, the LLE data underwent regression using thermodynamic models NRTL and UNIQUAC. The degree of deviation between the experimental data and regression data was assessed using the root mean square deviation (RMSD) and the average absolute deviation (AAD). The RMSD values for the NRTL and UNIQUAC models were below 0.74 and 0.76%, respectively, with corresponding AAD values below 0.39 and 0.60%. These results indicate a robust concurrence between the experimental data and the outcomes of the regression analysis. Finally, the GUI-MATLAB tool was employed to validate the coherence of the experimental data with the regression parameters. σ-Profiles are used to discuss the interactions of substances in this work. The results showed that the D and S of all four systems were greater than 1, indicating that all four extractants were effective in separating 1,3-propanediol and 2-propyl-1-heptanol. The order of their extraction capacity was water ≥ hexane ≥ ethyl benzene ≥ vinyl acetate.
研究领域:
化学工程
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热力学
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高影响因子
JOURNAL OF MOLECULAR LIQUIDS
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2024
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IF 5.3
Yujie Zhen,Qingqing Yin,Fangyu Zhang,Anle Zhang,Wenxue Lu,Tao Li,Yiwu Lu,Yingmin Yu
To explore the effective treatment of acrylic acid wastewater, liquid–liquid equilibrium (LLE) data for water + acrylic acid + {n-propyl acetate, n-butyl acetate, n-heptanol, and methyl isopropyl ketone} at 303.2 K and 101.3 kPa were measured respectively. The distribution coefficients ( D ) and separation factors ( S ) were used to assess the extraction effectiveness of the four solvents, and the results of the comparative data showed that the D values of the four solvents for acrylic acid ranged from 1.6 to 4.4, and the S values were in the order of n-butyl acetate > n-propyl acetate > MIPK > n-heptanol. The experimental data were fitted by NRTL and UNIQUAC models to obtain the binary interaction parameters, and the obtained above parameters were proved reliable by the mixing surface analysis method of Gibbs energy topology. The root mean square deviation ( RMSD ) of both models did not exceed 0.0051 and 0.0077, respectively. In addition, σ-profiles analyzed the differences in extraction effects in terms of interactions and interaction energies, and the analyses showed that the theoretical calculations are in agreement with the experimental results.
研究领域:
化学工程
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物理化学
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环境科学
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高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2022
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IF 3.269
Wenyang Fan,Yuanyuan Han,Houchun Yan,Dongmei Xu,Huiwen Huang,Yinglong Wang
To recover isopropanol from its aqueous solution, alkanols (1-pentanol, 1-hexanol and 1-heptanol) were selected as the solvents to separate water and isopropanol. Liquid-liquid equilibrium data for water + isopropanol + 1-pentanol/1-hexanol/1-heptanol ternary systems were measured at 298.15 K under 101.3 kPa. The mass conservation of the experimental data was checked, and the reliability of the tie-lie data were evaluated by the Bachman, Hand and Othmer-Tobias equations. The extraction performance of the three solvents was assessed through the separation factor and partition coefficient, and compared with those for other reported solvents {esters, ketones, ethers, alkanes (or alkenes), ionic liquids and deep eutectic solvents}, indicating that 1-heptanol has better extraction performance for isopropanol compared with other two solvents. The NRTL and UNIQUAC models were used to correlate the data to obtain regression parameters. The mixed surface analysis based on Gibbs energy topology verified that the binary interaction parameters are consistent with the measured data. Furthermore, the LLE binodal curve for the researched ternary systems were predicted through the UNIFAC and COSMO-UNIFAC models.
研究领域:
化学工程
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物理化学
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热力学
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高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2025
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IF 2.1
He Ma,Houchun Yan,Menghao Du,Yingmin Yu,Qingsong Li
To separate methyl 2-hydroxyisobutyrate from an aqueous solution, alkyl alcohols were selected as extractants. The liquid–liquid equilibrium data for the system {water + methyl 2-hydroxyisobutyrate + extractants (1-hexanol, 1-heptanol, 1-octanol, and 1-nonanol)} were determined at a temperature of 303.2 K. The partition coefficients and separation factors were calculated to assess the effectiveness of the extraction process. Additionally, the data were correlated using the NRTL and UNIQUAC models, with parameter regression conducted accordingly. The GMcal_TieLinesLL tool was utilized to evaluate the regression model parameters, and the results conformed to the Gibbs stability criterion. The present study further investigates the separation mechanism through analyses of σ-profile, deformation charge density, interaction energies, and Reduced Density Gradient (RDG) analysis. Ultimately, it was concluded that 1-nonanol exhibited the most effective extraction performance.
研究领域:
化学工程
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分离过程
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物理化学
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热力学
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萃取
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分子建模
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高影响因子
CHEMISTRY OF MATERIALS
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2025
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IF 7
Yi Yi,Pengxiang Zhang,Yixin Shen,Junhui Tan,Bao-Wen Li
Solution-processable high-k perovskite nanosheets show considerable potential for applications in printed electronics due to their unique structural properties and exceptional physical characteristics. However, their dispersibility and compatibility in various organic solvents remain insufficiently understood, with a lack of systematic investigation, which restricts their broader application potential. In this study, the dispersion behavior of high-k perovskite nanosheets, specifically Ca2Nb3O10 (CNO) and Ca2NaNb4O13 (CNNO), was examined in 20 different organic solvents. By correlating the physicochemical properties of these solvents, including surface tension, dielectric constant, and empirical solvent parameters, with Hildebrand and Hansen solubility models, we identified the underlying solvent–nanosheet interaction mechanisms responsible for dispersion stability. Polar protic solvents, such as water and methanol (MeOH), as well as polar aprotic solvents, like dimethyl sulfoxide (DMSO), acetonitrile (ACN), N,N-dimethylformamide (DMF), propylene carbonate (PC), and N-methyl-2-pyrrolidone (NMP), facilitate uniform and stable nanosheet dispersions. These solvents promote dispersion stability through strong dipole–dipole interactions and moderate surface tension matching. Based on these findings, we developed a series of organic solvent-based inks incorporating high-k perovskite nanosheets, demonstrating excellent printing adaptability for electrical device fabrication, and achieving stable device performance. This work provides a comprehensive library of organic solvents that effectively disperse high-k perovskite nanosheets, thereby broadening their potential applications in printed electronic devices.
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PROGRESS IN REACTION KINETICS AND MECHANISM
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2025
·Vol. 50
·期 1
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IF 4.8
Jinglan Wang,Ziqiong Xu,Zhanjun Cheng,Boyi Sun,Xuezhi Gao,Zhandong Wang,Jiuzhong Yang,Beibei Yan,Guanyi Chen
Alcohols, primarily produced from biomass, are considered promising, both as alternative fuels and as fuel additives. However, short-chain alcohols suffer from low calorific value, corrosion, and hygroscopicity. In contrast, long-chain alcohols are better candidates as their physical and chemical properties closely match diesel, enabling direct use in engines. n-Heptanol is a potential long-chain alcohol and exhibits excellent combustion characteristics and significantly low-temperature reactivity. To facilitate engine application and enhance the understanding of n-heptanol combustion, its low-temperature oxidation was investigated in a jet-stirred reactor across equivalence ratios of 0.5, 1.0, and 2.0, within the temperature range 550–880 K, at atmospheric pressure. Synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS) identified approximately 29 oxidation species (including aldehydes, alkenes, water, etc.), and quantified their mole fraction profiles. An obvious negative temperature coefficient was observed in n-heptanol oxidation at the equivalence ratios of 0.5 and 1.0. A detailed kinetic model for n-heptanol oxidation was developed based on the Togbé model of n-hexanol oxidation. The results indicated that the proposed model can well reproduce the n-heptanol oxidation experiments. Rate of product (ROP) analysis revealed that the H-abstraction by OH radicals, forming fuel radicals, was the dominant pathway for n-heptanol consumption. Subsequently, fuel radicals predominantly underwent decomposition through the first O2-addition, H-abstraction, and bond dissociation reactions. Furthermore, this study identified the source of aldehydes and alkenes, such as heptanal, hexanal, 1-heptene, 1-hexene, etc., as products of O2-addition reactions on fuel radicals. These findings contribute significantly to a deeper understanding of the oxidative behavior of long-chain alcohol fuels.
研究领域:
燃烧化学
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燃料科学
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化学动力学
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替代能源
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反应工程
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高影响因子
JOURNAL OF MOLECULAR LIQUIDS
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2025
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IF 5.2
Yuhua Song,Ru Yan,Rui Dong,Ping Wen,Mingjin Fan
The rational design of lubricants that exploit robust interfacial adsorption and friction-induced tribofilm formation is crucial for achieving tailored performance. Conventional ester lubricants often suffer from weak adsorption and the formation of inferior metal soap films. Herein, we report a molecular engineering strategy to synthesize a series of nitrilotriacetate esters with customizable structures by regulating alkyl chain length, branching, and ester group count. The optimized tridecyl 2,2′,2″-nitrilotriacetate (TDNA) exhibits superlative lubrication performance. Its trigonal pyramidal geometry, featuring three ester groups coordinated with a central nitrogen atom, facilitates a stable five-membered chelate structure that acts as a powerful “atomic anchor” to the metal surface, ensuring strong interfacial adhesion. The three linear alkyl chains further self-assemble via intensive van der Waals interactions, forming a dense and highly ordered molecular film. Under rubbing incitation, this robust adsorbed layer acts as a sacrificial precursor, undergoing in-situ degradation and metal-catalyzed reorganization into a protective graphene-like carbon tribofilm, rather than conventional metal soaps. This synergistic mechanism of atomic anchoring and controllable graphitization establishes a self-renewing lubrication system, resulting in significantly reduced friction and wear. This work provides profound insights into the molecular-level design of high-performance, sustainable lubricants.
研究领域:
摩擦学
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材料科学
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润滑剂化学
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表面工程
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高影响因子
FLUID PHASE EQUILIBRIA
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2026
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IF 2.7
Jian-an Wang,Jiahao Shi,Junyu Feng,Qingsong An,Shengshan Bi
High-pressure density data of n -alkanols are essential for the design of biodiesel blended fuels and fuel injection in marine engines. However, reliable experimental data for n -alkanols (C4–C7) under high pressures (up to 200 MPa) remain scarce. In this study, a high-pressure density measurement system based on the variable-volume method was established, achieving a combined expanded uncertainty of 0.27% ( k = 2). The densities of n -alkanols (C4–C7) were measured over the temperature range of 303.15–383.15 K and pressures up to 200 MPa. The measured data were accurately correlated using the Tammann-Tait equation, and the derived thermodynamic properties were obtained. Then, the parameters of the Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) equation of state (EoS) for n -alkanols were optimized using the 2B association scheme. Within the experimental range, the average absolute relative deviation (AARD) between the calculated and experimental densities was <0.1%, demonstrating the applicability of the model for ultra-high-pressure volumetric calculations. This study addresses the gap in high-pressure property data for n -alkanols (C4–C7) and provides a critical experimental and modeling foundation for the development of efficient and clean marine power systems. Download: Download high-res image (351KB) Download: Download full-size image
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高影响因子
MICROCHEMICAL JOURNAL
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2026
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IF 5.2
Chaojun He,Xiaohui Wang,Shanshan Zhang,Xiaoya Zhang
A sensomics-driven analytical platform was built for complex floral matrices. • Integrated HS-SPME-GC-O-MS and OAV mapping resolved 104 trace volatiles. • Omission tests successfully corrected discrepancies in independent OAV modeling. • Nine key chemometric markers were extracted to discriminate cultivar profiles. Quantifying and validating key odor-active compounds (OACs) in complex botanical matrices remains a significant challenge in modern analytical chemistry due to trace concentrations and complex matrix interferences. Traditional volatile profiling often relies solely on mass spectrometry (MS) or independent odor activity value (OAV) calculations, which fail to account for intermolecular synergistic or antagonistic effects. Applying this approach to Fengdan [FD] and Ziban [ZB] tree peony organs, 104 volatiles were mapped, revealing organ-specific metabolic tracks. PCA and HCA indicate significant differences in volatile compounds from different organs of peony. Through GC-O, OAV, aroma recombination, and omission experiments, 23 and 26 key aroma compounds were identified in ZB and FD petals, respectively, which contribute significantly to the formation of peony petals. Based on VIP > 1, nine key differential aroma compounds such as nonanal and geraniol were screened, which can be used to distinguish the petal aroma differences between FD and ZB. These findings provide a theoretical basis for the development of peony flower beverages and food. Download: Download high-res image (121KB) Download: Download full-size image
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高影响因子
JOURNAL OF CHROMATOGRAPHY A
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2026
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IF 4
Shu-shu Gao,Yun-feng Liu,Xiao-qing Yan,Li Yang,Run-qin Wang,Rong-rong Xing,Xuan Chen,Shuang Hu
● An alkyl polyglucoside-based switchable ternary supramolecular solvent was prepared. ● A switchable SUPRAS-DLLME procedure was established. ● The extraction mechanism was elucidated from multiple perspectives. ● The formation of SUPRAS was characterized by FT-IR and 1 H NMR spectroscopy. ● Wide-polarity analytes from traditional Chinese medicine were well enriched. A switchable supramolecular solvent based dispersive liquid-liquid microextraction method was developed for the preconcentration and determination of six main hepatotoxic ingredients in Chinese herbal medicine of “Psoraleae Fructus” combined with high performance liquid chromatography-ultraviolet detection. Based on the biodegradable alkyl polyglucoside and a switchable deep eutectic solvent composed of diethanolamine and hexanoic acid, a hydrophilic supramolecular solvent was prepared for the extraction of the target analytes from the aqueous sample solution, and the phase separation was obtained by adding hydrochloric acid solution. A combination of one-factor-at-a-time and central composite design was employed to investigate the primary factors influencing the extraction efficiency, including the composition and volume of alkyl polyglucoside-based switchable supramolecular solvent, the type and dosage of phase-switching trigger, extraction time and salt concentration of the sample solution. Under the optimal extraction conditions, the performance metrics of the proposed method were validated, demonstrating good linearity ( r ≥ 0.9979), low detection limits, satisfactory precisions (relative standard deviation≤6.4%) and spiked recoveries (90.3%–107.8%). The enrichment factors for six target analytes ranged from 64 to 666 greater than the published reports. The formation of the supramolecular solvent was characterized by utilizing Fourier transform infrared spectroscopy and proton nuclear magnetic resonance spectroscopy. The extraction mechanism was elucidated by analytes properties, theoretical calculation and the molecular docking. The greenness of the proposed method was assessed by AGREE and AGREEprep tools. The established method possessed good extraction efficiency and could effectively enrich the components with varying polarities in complex matrices. Download: Download high-res image (225KB) Download: Download full-size image
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