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JOURNAL OF MOLECULAR LIQUIDS · 2024 · IF 5.3

A novel strategy for water content analysis in (B12C4/B15C5/B18C6-[EMIm][NTf2])-LiNTf2 extraction system: Quantitative calculation and theoretical study

Lianjing Mao,Xiaolong Zhou,Tianyu Zheng,Xiao Li,Xiufang Wang,Zhiyu Zhao,Wei Sun,Pengrui Zhang,Jinhe Sun

The metal ion extraction process   is usually accompanied   by the removal of coordinated water molecules and the change of water content in the extraction phase. However, hierarchical methodologies on water research   are incredibly sparse, restricting a thorough knowledge of the extraction mechanism.   It was clarified the diversity of water occurrence forms in the extraction phase and quantitative relationship between water, Li + and crown ether based on the (B12C4/B15C5/B18C6-[EMIm][NTf 2 ])-LiNTf 2 solvent extraction system. While the complexation mechanism between hydrated Li + and crown ether was discussed carefully. Firstly, it demonstrated that the water content of the extraction phase: B18C6 > B15C5 > B12C4. Secondly,   the water in the extraction phase is mainly collected by solvent and crown ether, with the latter catching water primarily via Li + coordination and weak interactions. In the end, focusing on the water captured by the crown ether through Li + coordination, slope analysis and DFT calculations found that Li (H 2 O) 4 + was removed three water molecules to complex with B12C4 or B15C5, whereas B18C6 tends to remove two water molecules. It is precious for a thorough grasp of the mechanism and procedure of Li + extraction by crown ethers. What’s more, it offers novel strategies for investigating water content and transfer mechanisms in extraction systems.

CAS / MDL: 100-66-3 90076-65-6
研究领域: 化学 · 材料科学 · 理论研究
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JOURNAL OF ALLOYS AND COMPOUNDS · 2019 · IF 4.175

Effects of water content during cold sintering process of NaCl ceramics

Lei Li,Wen Bin Hong,Shuang Yang,Han Yan,Xiang Ming Chen

NaCl ceramics were prepared by cold sintering at room temperature with the water content varying from 0 to 10 wt%. The relative density of the NaCl ceramics first decreases rapidly from 99.3% to 95.0% with increasing the water content from 0 to 3 wt%, and it decreases slowly to 93.4% with further increasing the water content up to 10 wt%. The decrease in relative density is mainly attributed to the volume increase caused by the evaporation of the residual water in NaCl ceramic body. The dielectric constant exhibits the same tendency as the relative density, while the Qf value increases from 27,600 GHz to 49,600 GHz with increasing the water content from 0 to 4 wt%, and it does not change much for higher water content. The improved Qf value is attributed to the improved microstructure homogeneity that benefits from the fast mass transport of the water-activated dissolution-precipitation mechanism. The results clearly show that the water content should be optimized but not determined arbitrarily or empirically to achieve the good combination of high density, microstructure homogeneity and good properties. To avoid the negative effect of the residual water, NaCl ceramics were also cold-sintered at 120 °C, in which both high relative density (98.8–99.6%) and high Qf value (48,100–56,000 GHz) were obtained.

CAS / MDL: 7647-14-5
研究领域: 材料科学 · 陶瓷工程
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Soft Matter · 2015 ·Vol. 11 ·期 14 ·2885-2892 · IF 4.029

Effects of water content and chain length of n-alkane on the interaction enthalpy between the droplets in water/sodium bis(2-ethylhexyl)-sulfosuccinate/n-alkane microemulsions

Dashuang Fan,Peizhu Zheng,Yuanming Ma,Tianxiang Yin,Jihua Zhao,Weiguo Shen

The concentration-dependent enthalpies of mixing for water/sodium bis(2-ethylhexyl)-sulfosuccinate (AOT)/n-alkane microemulsions with different water contents ω0 and chain lengths n of n-alkane were determined by isothermal titration microcalorimetry (ITC) and flow-mixing microcalorimetry at 298.15 K and used to calculate the interaction enthalpies (−ΔHC) between the droplets. It was found that −ΔHC increased with ω0, and changed from negative to positive at about ω0 = 10. The investigation of the dependence of −ΔHC on n revealed that the values of −ΔHC were negative and had a minimum for ω0 = 5; while they were positive and had a maximum for ω0 = 15. These phenomena were discussed based on the competition of the overlapping contribution of the surfactant tails between two neighbouring droplets and the penetration contribution of the solvent molecules into the surfactant tails. These results indicated the important role of entropy in the stability of the microemulsion systems.

研究领域: 化学 · 物理化学
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ACS Applied Materials & Interfaces · 2022 · IF 10.383

Molecular Design and Preparation of Protein-Based Soft Ionic Conductors with Tunable Properties

Xin Yu,Yang Hu,Haoyuan Shi,Ziyang Sun,Jinghang Li,Haoran Liu,Hao Lyu,Jiujie Xia,Jingda Meng,Xingyu Lu,Jingjie Yeo,Qiyang Lu,Chengchen Guo

Protein-based soft ionic conductors have attracted considerable research interest in recent years with great potential in applications at the human–machine interfaces. However, a fundamental mechanistic understanding of the ionic conductivity of silk-based ionic conductors is still unclear. Here, we first developed an environmental-friendly and scalable method to fabricate silk-based soft ionic conductors using silk proteins and calcium chloride. The mechanistic understanding of the ion transport and molecular interactions between calcium ions and silk proteins at variable water contents was investigated in-depth by combining experimental and simulation approaches. The results show that calcium ions primarily interact with amide groups in proteins at a low water content. The ionic conductivity is low since the calcium ions are confined around silk proteins within 2.0–2.6 Å. As water content increases, the calcium ions are hydrated with the formation of water shells, leading to the increased distance between calcium ions and silk proteins (3.3–6.0 Å). As a result, the motion of the calcium ions increased to achieve a higher ionic conductivity. By optimizing the ratio of the silk proteins, calcium ions, and water, silk-based soft ionic conductors with good stretchability and self-healing properties can be obtained. Such protein-based soft ionic conductors can be further used to fabricate smart devices such as electrochromic devices.

研究领域: 材料科学 · 生物物理学
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SEPARATION AND PURIFICATION TECHNOLOGY · 2019 · IF 5.107

Extraction of aromatics from aliphatics using a hydrophobic dicationic ionic liquid adjusted with small-content water

Congfei Yao,Yucui Hou,Ying Sun,Weize Wu,Shuhang Ren,Hui Liu

The extraction of aromatics from aliphatics with both high distribution coefficient ( D ) and high selectivity ( S ) is a challenge in the industry. Hydrophobic dicationic ionic liquids (DILs) were demonstrated as efficient extractants with both high D and high S . However, the high viscosity of the DILs may influence their application. In this work, we found that a hydrophobic DIL ([C 5 (MIM) 2 ][NTf 2 ] 2 ) could dissolve a small amount of water with a solubility of 2.24 wt% at 303.15 K. The viscosity and density of the DIL with different contents of water were investigated from 293.15 K to 333.15 K. A small amount of water in the DIL could decrease its viscosity greatly, while had little effect on its density. The effect of water content in the DIL on the extraction performance was studied, and it was found that both D and S remained high when a small amount of water dissolved in the DIL. The highest selectivity and distribution coefficient for toluene were 45.7, 0.86 (water content: 1.10 wt%) and 41.5, 0.75 (water content: 1.59 wt%), respectively. With increasing the carbon chain of aliphatics, both D tol and D ali decreased, but S increased in the presence of water. All the results indicated that the DIL with a small amount of water not only had high D and S simultaneously, but also enhanced the extraction process. Importantly, the use of water in the extraction process accords with the concept of green chemistry.

研究领域: 化学工程 · 绿色化学
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IONICS · 2025 · IF 2.6

Brightly saturated coloration of Ti sheets in deep eutectic solvents by anodic oxidation: the role of H2O

Lu Lianwu,Guo Shenghui,Hua Yixin,Cheng Mingqiang,Zhang Yinghua,Gao Lei,Ru Juanjian

Brightly saturated oxide films are successfully prepared on Ti sheets surface by anodic oxidation in ethaline deep eutectic solvent (DES) with the regulation of H 2 O content, to enhance the decorative and corrosion resistance. As H 2 O content increases from 0 wt .% to 100 wt .% in the DES, the colored surface of Ti sheets exhibits a highly reproducible and a variety of colors including yellow, brown, red, purple, and blue. The role of H 2 O during the coloring process is discussed to shed light on the deeper causes of the color changes of Ti sheets. There exists a critical H 2 O content, i.e. 20 wt. %, and below this value, it benefits to the increase of bath voltage and the formation of oxide films, reflecting in a regular change in the color of Ti sheets. Above 20 wt. %, some characteristics conferred by ethaline DES may be weakened, so that the color of Ti sheets basically remains unchanged in blue tone. Besides, systematically characterizations of colored Ti sheets demonstrate that non-stoichiometric titanium oxides are formed as a mixture of TiO 2 , Ti 2 O 3 and TiO. The variations in H 2 O content have significant impacts on the surface composition of colored Ti sheets, resulting in an increased O/Ti ratio of the surface oxides and altering the optical properties of the colored films. Furthermore, the EIS and dynamic potential polarization tests show a significant increase in impedance and a decrease in corrosion current density for the colored Ti sheets compared to the untreated, implying an enhancement in corrosion resistance.

研究领域: 材料科学 · 电化学
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SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY · 2020 · IF 3.232

Rapid detection of mercury (II) ions and water content by a new rhodamine B-based fluorescent chemosensor

Jiwen Hu,Xili Yu,Xin Zhang,Changcheng Jing,Tingting Liu,Xiaochun Hu,Senlin Lu,Kajsa Uvdal,Hong-Wen Gao,Zhangjun Hu

A rhodamine B-based sensor ( RS ) was designed and synthesized by a combination of the spirolacton rhodamine B (fluorophore) and multidentate chelates (ionophore) with high affinity towards Hg 2+ . In the presence of Hg 2+ , the resulting red-orange fluorescence (under UV light) and naked eye red color of RS are supposed to be used for quantitative and qualitative measurement of Hg 2+ . Further fluorescent titration and analysis demonstrate that RS can selectively detect Hg 2+ within 1 s with a low limit of detection (LOD) of 16 nM in acetonitrile media, meanwhile, the association constant (K a ) was calculated to be 0.32 × 10 5  M −1 . More importantly, the resultant complex ( RSHg ) of RS and Hg 2+ has also been successfully applied to detect limited water content in acetonitrile solution.

研究领域: 分析化学 · 环境科学
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JOURNAL OF POLYMER RESEARCH · 2024 ·Vol. 31 ·期 9 ·1-8 · IF 2.6

Study on reaction kinetics of bio-based semi-aromatic high temperature polyamide PA10T/1010

Meng Chihan,Zhong Jiachun,Pu Zejun,Wu Wenhui,Yang Yuhao

In this paper, the polycondensation kinetics of bio-based semi-aromatic high temperature polyamide PA10T/1010 was studied in a micro high-temperature and high-pressure reactor. The polycondensation experiment of PA10T/1010 salt solution with temperature of 235 ℃-295 ℃ and initial water content of 5 wt%-25 wt% was carried out. The change of end group content in the reaction process was investigated, and the relationship between polymer equilibrium molecular weight and temperature and water content was explored. The results showed that the end group concentration decreased rapidly at the beginning of the reaction, approached equilibrium after a period of time, and the higher the temperature, the higher the initial water content and the lower the equilibrium molecular weight, indicating that the polycondensation of PA10T/1010 was an exothermic reaction; on this basis, a kinetics model of polycondensation reaction was established based on the literature model, it was considered that the polycondensation reaction is an acid catalyzed third-order reaction, and the effects of temperature and water content on the equilibrium and rate of polycondensation reaction can be investigated; The kinetics model of polycondensation reaction was obtained, and the calculated results of the model were basically consistent with the experimental values.

CAS / MDL: 920-66-1
研究领域: 材料科学 · 化学工程
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Catalysis Science & Technology · 2020 ·Vol. 10 ·期 24 ·8437-8444 · IF 5.721

Seed-assisted hydrothermal synthesis of Sn-Beta for conversion of glucose to methyl lactate: effects of the H2O amount in the gel and crystallization time

Xiaomei Yang,Liuyong Wang,Tianliang Lu,Beibei Gao,Yunlai Su,Lipeng Zhou

Hydrothermally synthesized Sn-Beta is an excellent catalyst for the conversion of sugars to alkyl lactates. However, its catalytic performance is highly dependent on the synthesis parameters. In this work, the effects of the synthesis parameters such as the water amount of the synthesis gel and the crystallization time on the synthesis and properties and catalytic performance of Sn-Beta in the conversion of glucose to methyl lactate (MLA) were investigated. The crystallization rate was accelerated remarkably by reducing the water amount of the synthesis gel. With the aid of the Si-Beta seed, Sn-Beta was almost fully-crystallized after one day with nH2O/nSiO2 of 4.5, but seven days were needed with nH2O/nSiO2 of 7.5. However, Sn-Beta synthesized with nH2O/nSiO2 of 4.5 has more extraframework SnO2 due to the fast formation of the *BEA structure and the slow incorporation of Sn4+ into the framework sites, which resulted in the lower activity of MLA formation. More Sn4+ species were incorporated into the framework sites and thus more Lewis acid sites were generated with increasing crystallization time. At the same time, the ratio of open to closed Sn sites (RO/C) increased, which led to the decrease in the activity of MLA formation and due to that, the open Sn site with a proximal silanol is unfavorable for the conversion of glucose to MLA. During recycling study, it is surprisingly found that the yield of MLA increased gradually over the fully-crystallized Sn-Beta catalyst. Characterization results of the recovered catalyst from the eighth run indicate that the structure was preserved well, but the value of RO/C reduced due to the change of the state and microenvironment of Sn species.

研究领域: 催化化学 · 材料科学
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DIAMOND AND RELATED MATERIALS · 2025 · IF 5.1

Lignin-derived green-emitting carbon quantum dots for sensitive fluorometric detection of water in ethanol

Qiujie Gao,Kai Liu,Miaoyan Hu,Shiyu Gao,Li Xu,Hailan Lian,Changyan Xu

Efficient utilization of lignin, an abundant yet underutilized biomass resource, is essential for sustainable development and advancing functional material innovation. However, strategies for transforming lignin into practical sensing materials remain limited. In this study, carbon quantum dots (CQDs) were synthesized using lignin as a carbon source through a simple one-pot hydrothermal method. The CQDs exhibited a fluorescence quantum yield of 15.28 % and significant solvent-dependent optical properties. Upon exposure to varying water content in ethanol, the CQDs showed a red shift in emission spectra and a decrease in fluorescence intensity due to hydrogen bonding-induced aggregation. Leveraging these properties, the CQDs were used as a sensitive fluorescent probe for detecting water content in ethanol, demonstrating a good linear correlation (R 2  = 0.989) and a detection limit as low as 0.288 %. To further validate the practicality of the CQDs, their anti-interference ability was evaluated by testing the fluorescence response in the presence of common interfering solvents, including methanol, acetone, isopropanol, ethyl acetate, n-hexane, and DMSO. The results demonstrated high sensitivity and minimal interference, particularly from non-polar solvents. Furthermore, the sensing platform was converted into a portable paper-based sensor for convenient, real-time detection of water content in ethanol under UV light. This study presents a sustainable approach for lignin utilization and offers a promising tool for monitoring water content in ethanol and potentially other organic solvents, even in complex environments.

研究领域: 材料科学 · 分析化学 · 可持续发展
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International Journal of Greenhouse Gas Control · 2014 · IF 3.821

Research on influencing factors and mechanism of CO2 absorption by poly-amino-based ionic liquids

Hui Hu,Fang Li,Qi Xia,Xiaodan Li,Li Liao,Maohong Fan

Ionic liquids (ILs) are varieties of green solvents that can capture CO 2 effectively. In this research, five synthesized amino ILs were evaluated for their CO 2 absorption performance. Experimental results showed that more amino groups in ILs led to higher CO 2 absorption capacities. For factors such as temperature, gas flow rate, and water content, water content had the most significant impact on the capacity to absorb CO 2 . A CO 2 absorption capacity of 0.96   mol-CO 2 /mol-IL was achieved with [TETAH] + [BF 4 ] − , with the IL containing 0% water and a gas flow rate of 100   ml/min at 293   K. However, when the water content of [TETAH] + [BF 4 ] − reached 40%, CO 2 absorption capacity increased to as high as 2.04   mol-CO 2 /mol-IL. Also, the CO 2 absorption capacity of [TETAH] + [BF 4 ] − increased rapidly with temperature in the range of 283–333   K, but decreased at temperatures greater than 333   K. According to the absorption–desorption recycling experiment of IL 3#, the regeneration rates of ILs increase with water content from 0% to 40%, while raising temperature does not improve regeneration rates. The FT-IR, 13 CNMR, pH and conductivity characterization results indicate that CO 2 reacted with NH 2 and NH in [TETAH] + [BF 4 ] − and formed carbamate. Simultaneously, CO 2 reacted with H 2 O and released H + , thus enhancing the absorption of CO 2 . This has important implications for various projects.

CAS / MDL: 80-41-1 16872-11-0
研究领域: 化学工程 · 环境科学
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Journal of the Taiwan Institute of Chemical Engineers · 2020 · IF 4.794

Aldol condensation of furfural with acetone over Ca/ZSM-5 catalyst with lower dosages of water and acetone

Xiaowei Fang,Ze Wang,Wenli Song,Songgeng Li

In this paper the aldol condensation of furfural (C5) with acetone (C3) over Ca/ZSM-5 was studied with lower dosages of water and acetone as compared to previous studies. It was observed that the formation of CaO over the catalyst is critical to catalyst activity and that the reaction may not occur without water. Although higher quantity of water was favorable for the formation of 4-(2-Furyl)-3-buten-2-one (C8), it was inhibitive for the formation of 1,5-bis-(2-furanyl)-1,4-pentadien-3-one (C13). Highest yields of C8 (38.4 mol%) and C13 (60.2 mol%) were obtained with C3-to-C5 mole ratio of 0.8:1, and water content of 29.7 wt%. The deactivated catalyst was further regenerated by re-loading CaO. An intrinsic kinetic model was established whereby the reaction was first-order dependent on the concentration of each reactant. The formation of 4-(2-furyl)-4‑hydroxy‑butan-2-one (C8-OH), and the C8-OH-to-C8 dehydration were essential steps. The reaction of C8-OH with C5 owned the highest activation energy (41.9 kJ/mol), this step was more sensitive to reaction temperature than those of other steps.

CAS / MDL: 98-01-1
研究领域: 化学工程 · 催化化学
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