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JOURNAL OF CHEMICAL THERMODYNAMICS · 2023 · IF 2.6

Equilibrium solubility and thermodynamic study of daminozide in twelve neat solvents from (283.15 to 323.15) K

Pengshuai Zhang,Jixiu Deng,Xiaoyu Jiang,Liang Xu,Yu Huang,Han Sun,Mi Gao,Xianghan Wang,Yulong Gao,Kangning Fan,Lu Zhang,Shuoye Yang

In the present study, solubility of daminozide was determined in twelve neat solvents (N,N-Dimethylformamide (DMF), 2-methoxyethanol, N-Methyl-2-pyrrolidone (NMP), 2-ethoxyethanol, Acetonitrile (MeCN), 2-propoxyethanol, methanol, ethanol, n -propanol, i -propanol, n -pentanol, 2-butoxyethanol) by using the gravimetrical method under the pressure of 0.1 MPa and temperature from 283.15 to 323.15 K. The maximum solubility value (10 2 x 1 ) of daminozide was found in NMP at 323.15 K (10.04), while the minimum solubility value (10 2 x 1 ) of daminozide was found in n -pentanol at 283.15 K (0.0149). At the temperature of 298.15 K, the order of the experimental solubility values (100 x 1 ) of daminozide in twelve neat solvents was: NMP (5.523) > DMF (3.294) > methanol (1.395) > 2-methoxyethanol (0.7839) > ethanol (0.5515) > 2-ethoxyethanol (0.3816) >  n -propanol (0.2175) >  i -propanol (0.1099) > 2-propoxyethanol (0.1083) > 2-butoxyethanol (0.0632) > MeCN (0.0386) >  n -pentanol (0.0344). Five models including van't Hoff model, Buchowski-Ksiazczak λh model, NRTL model, UNIQUAC model and Jouyban model were employed to correlate and analyze the experimental solubility of daminozide. Based on the principle of similar compatibility, the miscibility of daminozide in the selected solvents was discussed with the help of Hansen solubility parameters ( HSPs ). Finally, the apparent thermodynamic properties were investigated and results indicated that the dissolution mechanism of daminozide in all selected solvents was an entropy-driven and endothermic process.

CAS / MDL: 75-05-8 1596-84-5
研究领域: 化学 · 药学
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ACS Applied Electronic Materials · 2024 · IF 4.3

Application of Coke-Based Graphene Produced via Ultrasonic Ball Milling in Flexible Strain Sensors

Pengfei Li,Dada Yang,Hongyue Chen,Yangxi Bai,Yang Hou,Qiaorui Sheng,Shuai Zhu

Graphene has exceptional electrical and mechanical properties, which make it an ideal material for wearable flexible strain sensors. However, its efficient and eco-friendly production remains constrained by challenges such as a complex process, high cost, and environmental pollution. To address those issues, this study proposes an ultrasonic ball milling method in a NMP bath using NMP as a solvent, incorporating alumina abrasive as microballs and stearic acid as interlayer additives to exfoliate coke into coke-based graphene. The resultant coke-based graphene is employed in the fabrication of sandwich-type flexible strain sensors. Tests indicate that the sensor exhibits excellent tensile strain (0–20%) and pressure strain (0–1000 kPa) sensing performances, maintaining stable operation after 500 tensile tests and 500 pressure tests, with quick response times (tensile strain response time: 257/353 ms, pressure strain response time: 192/256 ms). When applied to the human body, it can monitor the relative changes in resistance due to movement and the stimulus signals caused by external factors on the skin’s surface. This method holds significant application value for the eco-friendly and low cost preparation of graphene, enabling high-quality and large-scale production of graphene strain flexible sensors.

CAS / MDL: 1302-74-5 57-11-4
研究领域: 材料科学 · 传感器技术 · 环境科学
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FUEL PROCESSING TECHNOLOGY · 2021 · IF 7.033

Influence of solvent structure on the extraction of aromatics from FCC diesel and computational thermodynamics study

Hong Li,Jiajun Guo,Yuhao Zhang,Liang Zhao,Jinsen Gao,Chunming Xu,Haitao Pang,Pengfei Hao

The separation of aromatics from fluid catalytic cracking (FCC) diesel is of great significance for environmental protection. The extraction ability of 1-methyl-2-pyrrolidinone (NMP), sulfolane (SUL), and 4-formylmorpholine (NFM) were studied by the liquid-liquid equilibrium (LLE) experimental, and the corresponding LLE data of NMP/SUL/NFM + 1-methylnaphthalene + dodecane systems were obtained. The calculated distribution coefficients and separation factors showed that the solubility of 1-methylnaphthalene was the highest in NMP and the selectivity of SUL to 1-methylnaphthalene was the strongest. The effects of solvent structures were investigated by a combination of experiments and quantum chemical calculations . The 1-methylnaphthalene is more soluble in solvents with planar molecular structure because the steric hindrance between the two molecules is smaller, and the group with more electronegative has higher selectivity for 1-methylnaphthalene. Moreover, the reduced density gradient (RDG) and atoms in molecules (AIM) analyzed found that the main extraction mechanism of the three solvents was van der Waals (VDW) and weak hydrogen bond , in which VDW was dominant. Finally, the binary interaction parameters of NRTL and UNIQUAC models were obtained, which make up for the blank in Aspen simulation for the separation of FCC diesel by organic solvents.

研究领域: 环境科学 · 化学工程
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JOURNAL OF MEMBRANE SCIENCE · 2025 · IF 9

Interlocked PTFE/Ceramic Membrane with Pine-Needle-Like Interlayer for Efficient Water-NMP Separation

Ting Chen,Pei Liu,Peng Xu,Xianfu Chen,Xueying Zhang,Zhaoxiang Zhong,Yiqun Fan

N-Methyl-2-pyrrolidone (NMP) is a water-miscible, polar aprotic solvent extensively used in various industrial processes. However, its widespread use has led to the generation of large volumes of NMP-containing wastewater, which poses significant environmental and health concerns. In this study, a robust PTFE/ceramic composite membrane was developed for effective separation of water and N-methyl-2-pyrrolidone (NMP) using a solvent resistant membrane distillation (SR-MD) process. To address the challenge of PTFE infiltration into macroporous ceramic supports, a pine-needle-like TiO 2 interlayer was constructed via in-situ hydrothermal synthesis. This interlayer not only reduced surface macroporosity but also strengthened the interfacial bonding between the ceramic support and the PTFE layer by mechanical interlocking, while simultaneously preventing PTFE penetration into large pores of the support. Additionally, carbon nanotubes (CNTs) were incorporated into the PTFE matrix to alleviate sintering-induced cracking and improve membrane mechanical properties. The resulting composite membrane exhibited a well-defined three-layer structure, low friction coefficient, excellent scratch resistance, and high interfacial integrity. The optimized membrane achieved high water flux (30 kg·m –2 ·h –1 ) and excellent NMP rejection (>96%) at 70 °C over prolonged operation. Vapor–liquid equilibrium analysis confirmed the selective permeability based on volatility differences between water and NMP. This study provides a practical and scalable strategy for constructing high-performance PTFE/ceramic composite membranes suitable for organic wastewater treatment under harsh conditions.

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APPLIED SURFACE SCIENCE · 2019 · IF 5.155

Scalable exfoliation and dispersion of few-layer hexagonal boron nitride nanosheets in NMP-salt solutions

Huiyong Wang,Xin Su,Tao Song,Zhiyong Li,Yuling Zhao,Hao Lou,Jianji Wang

Efficient and large-scale production of boron nitride (h-BN) nanosheets is very important for their applications. Here, we have developed a facile strategy for liquid-phase exfoliation of h-BN nanosheets in organic electrolyte solutions where N -methyl-pyrrolidinone (NMP) is used as an organic solvent , and sodium citrate, sodium tartrate , ammonium oxalate , potassium sodium tartrate or ethylenediaminetetraacetic acid disodium salt is used as a salt. It is found that the dispersion content of h-BN nanosheets has been greatly improved by using organic electrolyte solutions. For example, by addition of ethylenediaminetetraacetic acid disodium salt into NMP, the content of the exfoliated h-BN is 36 times that in neat NMP. Furthermore, approximately 85% of the h-BN nanosheets obtained in such a strategy is 1–4 layers. Mechanism study indicates that the strength of Lewis basicity of anion and size of cation of the salts play an important role in the exfoliation of h-BN by organic electrolyte solutions. The liquid exfoliation strategy reported here shows great promise for the mass production of high-quality few-layer h-BN nanosheets.

研究领域: 材料科学 · 化学工程
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JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY · 2011 ·Vol. 49 ·期 22 ·4721-4724 · IF 3.894

Continuous SET-LRP of acrylonitrile in iron tube without any ligand

Hou Chen,Min Zhang,Mengmeng Yu,Hongyan Jiang

Graphical Iron tube was applied as catalyst source in the design of continuous SET-LRP of AN without any ligand using BPN as initiator in NMP and DMF, respectively. First-order kinetics of polymerization with respect to the monomer concentration, linear increase of the molecular weight, and narrow polydispersity with monomer conversion showed the controlled radical polymerization characters. An increase in polymerization rate in NMP was observed compared with in DMF. The living feature of PAN was verified by chain extensions of PAN with MMA.

CAS / MDL: 872-50-4
研究领域: 化学工程 · 高分子科学
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Nanoscale Research Letters · 2022 ·Vol. 17 ·期 1 ·1-11 · IF 5.418

Facile Preparation of Four-Layer MoS2 Nanosheets and Their Application to Organic Light-Emitting Diode

Jiang Xingwang,Cheng Jie,Liu Ping,Gao Qingguo,Liu Liming

High-quality four-layer molybdenum disulfide (MoS 2 ) nanosheets with lateral dimension of about 11 µm were prepared by ultrasonic treatment of MoS 2 powder with assistance of 1-methyl-2-pyrrolidone (NMP) solvent. The optimal preparation conditions for the preparation of MoS 2 nanosheets were investigated from the aspects of ultrasonic processing time, ultrasonic power and amount ratio of MoS 2 powder and NMP solvent. At the same time, the MoS 2 nanosheets were employed as anode buffer layer in organic light-emitting diode (OLED) with copper nanowire (CuNW) film being anode. MoS 2 nanosheets can reduce roughness of CuNW film, protect CuNW film from oxidation and improve work function of CuNW film. Experiments show that MoS 2 nanosheets can significantly improve the current density and brightness of the OLED with CuNW film being anode. The maximum brightness of the OLED with MoS 2 anode buffer layer is 2.15 times that of the OLED without MoS 2 anode buffer layer. The current density of the OLED with MoS 2 anode buffer layer is also obviously increased compared with the OLED without MoS 2 anode buffer layer.

研究领域: 材料科学 · 电子工程
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CHINESE SCIENCE BULLETIN · 2010 ·Vol. 55 ·期 31 ·3562-3568 · IF 0.917

Synthesis, characterization, and tunable wettability of poly(ionic liquid) brushes via nitroxide-mediated radical polymerization (NMP)

Yang Wu,He XiaoJing,Gao JinZhang,Guo Hao,He XiaoYan,Wan Fei,Zhao XiuLi,Yu Yan,Pei Ben

Well-defined poly (ionic liquid) brushes with tunable wettability are successfully synthesized via nitroxide-mediated radical polymerization. X-ray photoelectron spectroscopy, attenuated total reflection infrared spectroscopy and static water contact angle measurements are used to monitor each step. Ellipsometry, nuclear magnetic resonance ( 1 H and 13 C) spectra and gel permeation chromatographic measurements reveal that there is a linear increase in polymer film thickness with polymerization time, indicating that chain growth from the surface is a controlled/“living” polymerization. The surface morphology was measured by atomic force microscopy. Moreover, the surfaces of the poly (ionic liquid) brushes with tunable wettability and reversible switching between hydrophilicity and hydrophobicity can be easily achieved by counteranion exchange.

研究领域: 材料科学 · 高分子化学 · 表面科学
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Solar RRL · 2025 · IF 4.7

Vacuum-Assisted Perovskite Crystallization in NMP/DMF and DMSO/DMF Solvent for Large-Area Solar Modules

Zixiang Zhou,Suxia Liang,Jiahong Li,Kai Song,Xiaogeng Gu,Ting Yan,Yunlei Jiang,Tianyu Yu,Cang Liang,Renjie Hua,Lei Shi,Luping Lyu,You Song,Shifeng Deng,Wenzhen An,Yuan Dong

Vacuum-assisted crystallization is a promising strategy for large-area perovskite film formation, but the role of solvent environment in intermediate phase evolution under vacuum-assisted crystallization remains underexplored. In this work, two common mixed solvent systems—NMP/DMF and DMSO/DMF were systematically compared, aiming at investigating how their coordination characteristics affect film formation outcomes during vacuum-assisted crystallization. NMP/DMF results in a distinct intermediate phase and ultimately leads to perovskite films with uniform grains, smooth surface, lower defect densities, and enhanced optoelectronic properties compared to those obtained using DMSO/DMF. The optimized perovskite photovoltaic modules achieved a champion power conversion efficiency of 19.14% (active area: 96.5 cm 2 ). This study highlights the strong correlation between solvent coordination and crystallization behavior, providing useful insights for scalable production of high-performance perovskite modules via vacuum-assisted crystallization.

CAS / MDL: 67-68-5 872-50-4 68-12-2
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REACTIVE & FUNCTIONAL POLYMERS · 2017 · IF 3.151

Design of folic acid based supramolecular hybrid gel with improved mechanical properties in NMP/H2O for dye adsorption

Chaoyue Hao,Jianping Gao,Yongli Wu,Xiaoxue Wang,Ruiru Zhao,Shunkang Mei,Jiangbing Yang,Xiangang Zhai,Haixia Qiu

Folic acid (FA) supramolecular gel was prepared in a mixture solvent of N -methylpyrrolidone (NMP)/H 2 O at a 1/1 volume ratio by using FA as gelator with a concentration of 0.4% (w/v). In the mixture solvent, NMP was first of time used as a good solvent to tune the solvent properties in order to be able to induce formation of FA supramolecular gel. The folic acid-gelatin (FA-GA) hybrid gels were synthesized by adding different amount of gelatin (GA) into FA gelator. The gelation temperature (T Gel ) of the FA-GA hybrid gel is 30   °C which is much higher than that of FA gel (10   °C). The gel to sol transition temperature (T GS ) is about 58   °C, which demonstrates that the hybrid gel has good stability at room temperature . The FT-IR and UV–vis spectra of FA-GA hybrid gel indicate that GA involves in the self-assembly process of FA via hydrogen bonding and π-π interactions with FA molecules. Owing to the π-π interaction happened between FA and GA molecules the fluorescence intensity of FA-GA gel is four times as high as that of FA gel. SEM images shows that the hybrid gel has a helical-fiber network structure which would enhance the gel strength to a great extent. Good stability, large specific surface and porosity in three-dimensional network structure of the FA-GA hybrid gel make it a highly promising adsorbent for dye adsorption. The FA-GA hybrid gel is able to absorb 63.5% of Congo red (CR), 68% of methyl blue (MB) and 44% of methyl orange (MO) respectively from their solutions.

研究领域: 材料科学 · 化学工程
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2020 · IF 2.369

Research on the 2-Chloro-4-amino-6,7-dimethoxyquinazoline Solubility in 12 Monosolvents at Various Temperatures: Experimental Measurement and Thermodynamic Correlation

Guoquan Zhou,Ke Chen,Zehui Yang,Danfeng Shao,Huajun Fan

The present study investigating the experimental equilibrium solubility of 2-chloro-4-amino-6,7-dimethoxyquinazoline (CADQ) dissolved in 12 kinds of neat organic solvents, including methanol, ethanol, n-propanol, isopropanol, n-butanol, isobutyl alcohol, ethyl acetate, toluene, N,N-dimethyl formamide (DMF), N-methylpyrrolidone (NMP), 1,4-dioxane, and cyclohexanone, was determined in an equilibrium state by means of the isothermal saturation method at temperature ranges of 273.15–313.15 K under normal atmospheric conditions of 101.2 kPa. The rising temperature showed the obvious positive effect on the increasing CADQ solubility gradually, and the maximum value (0.01370 at 313.15 K, in mole fraction) was observed in NMP for the studied temperature ranges. The equilibrated solid state of CADQ was characterized by applying the Fourier transform infrared (FT-IR) spectrometer, resulting in no existences of crystal transition, solvate formation, or polymorphic transformation in the experimental process. Results showed that the mole fraction solubility of CADQ abiding the order from high to low is as follows: NMP (0.01370, 313.15 K) > DMF (0.01157, 313.15 K) > cyclohexanone (3.847 × 10–3, 313.15 K) > ethyl acetate (1.010 × 10–3, 313.15 K) > n-butanol (9.288 × 10–4, 313.15 K) > isobutyl alcohol (8.408 × 10–4, 313.15 K) > n-propanol (7.692 × 10–4, 313.15 K) > ethanol (6.934 × 10–4, 313.15 K) > isopropanol (6.220 × 10–4, 313.15 K) > methanol (5.437 × 10–4, 313.15 K) > 1,4-dioxane (2.535 × 10–4, 313.15 K) > toluene (2.174 × 10–5, 313.15 K). Then, the achieved CADQ solubility values were correlated and calculated by mathematical models containing the modified Apelblat equation and λh equation, respectively. As a consequence, the largest root-mean-square deviation (RMSD) and average relative deviation (ARD) were 1.020 × 10–4 and 2.352%, respectively, which turned out to be that the calculated data agreed well with the experimental ones.

研究领域: 化学工程 · 药物化学
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APPLIED ORGANOMETALLIC CHEMISTRY · 2020 ·Vol. 35 ·期 1 ·e6066 · IF 3.14

Pyrrolidone ligand improved Cu-based catalysts with high performance for acetylene hydrochlorination

You Han,Yulian Wang,Yan Wang,Yubing Hu,Yao Nian,Wei Li,Jinli Zhang

A series of Cu-pyrrolidone/spherical activated carbon (SAC) catalysts were prepared via a simple incipient wetness impregnation method and then assessed in acetylene hydrochlorination, and the catalytic evaluation result indicated that the 1-methyl-2-pyrrolidinone (NMP) ligand was found to be the most effective one to significantly improve the activity and stability of Cu catalyst. The catalyst with the optimal molar ratio of NMP/Cu = 0.25 showed 94.2% acetylene conversion at 180°C and an acetylene gas hourly space velocity of 180 h −1 . Moreover, the acetylene conversion of Cu-0.25NMP/SAC remained stable over 99.1% for about 220 h under the industrial condition. Transmission electron microscopy (TEM) analyses proved that NMP ligand improved the dispersion of Cu species. In addition, hydrogen temperature-programmed reduction (H 2 -TPR), X-ray photoelectron spectra (XPS), thermogravimetric analysis (TGA), and Brunner–Emmet–Teller (BET) indicated that the additive of NMP was preferential to stabilize the catalytic active Cu + and Cu 2+ species and inhibit the reduction of Cu α+ to Cu 0 during the preparation process and reaction, hence restraining the coke deposition. Furthermore, the steady coordination structure between Cu and NMP was confirmed by Fourier-transform infrared spectra (FT-IR) and Raman combining with density functional theory (DFT) calculation, which could effectively lower the adsorption energy of catalyst for C 2 H 2 and inhibit the serious carbon deposition caused by excessive acetylene self-accumulation. Our findings suggest that the efficient, well-stabilized cost-effective, and environmentally friendly Cu catalyst has great potential in acetylene hydrochlorination.

CAS / MDL: 7758-89-6 872-50-4
研究领域: 催化 · 化学工程 · 材料科学
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