Journal of Molecular Liquids最新文献_第10页

Hybrid nanofluids based on WSe2-WO3 and a siloxane-based fluid with application in concentrated solar power 基于WSe2-WO3和硅氧烷的混合纳米流体在聚光太阳能中的应用

IF 5.3 2区化学

Journal of Molecular Liquids Pub Date : 2025-04-26 DOI: 10.1016/j.molliq.2025.127677

Saray Gragera , Paloma Martínez-Merino , Juan Jesús Gallardo , Iván Carrillo-Berdugo , Desireé De los Santos , María Gragera , Rodrigo Alcántara , Javier Navas

{"title":"Hybrid nanofluids based on WSe2-WO3 and a siloxane-based fluid with application in concentrated solar power","authors":"Saray Gragera , Paloma Martínez-Merino , Juan Jesús Gallardo , Iván Carrillo-Berdugo , Desireé De los Santos , María Gragera , Rodrigo Alcántara , Javier Navas","doi":"10.1016/j.molliq.2025.127677","DOIUrl":"10.1016/j.molliq.2025.127677","url":null,"abstract":"<div><div>Improving the efficiency of renewable energies to meet the growing demand for energy is one of the main goals of the research community. In this sense, concentrated solar power plants are a research line of interest at the present time. Therefore, in this work, hybrid nanofluids were prepared based on WSe<sub>2</sub>-WO<sub>3</sub> nanosheets synthesized in our laboratory and a silicon oil-based fluid. These were widely characterized to determine whether the efficiency of the heat transfer processes occurring in this kind of plants can be improved. Thus, temporal physical stability was analysed, the nanofluids reaching a stability after several days that was maintained for over 40 days. Once stable, measurements were taken of the properties of interest of the nanofluids, namely density, surface tension, dynamic viscosity, isobaric specific heat and thermal conductivity. The density, surface tension and dynamic viscosity values for the nanofluids did not change significantly with respect to the base fluid. Their isobaric specific heat was improved by 5 %, while their thermal conductivity increased by about 6 %. All the properties measured were used to estimate a figure of merit for the application of nanofluids in concentrating solar power plants. Enhancements of about 19 % were found for two nanofluids, suggesting they are a promising option for use as heat transfer fluids in CSP-PTC plants.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"431 ","pages":"Article 127677"},"PeriodicalIF":5.3,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143904348","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

The influence of different anions in ionic liquids on the catalytic hydrolysis of chitin into levulinic acid 离子液体中不同阴离子对几丁质催化水解制备乙酰丙酸的影响

IF 5.3 2区化学

Journal of Molecular Liquids Pub Date : 2025-04-26 DOI: 10.1016/j.molliq.2025.127675

Xingfen Huang , Shengbin Shi , Yuanfeng Wu , Guomin Xiao

引用次数: 0

Hydrophilization of ZIF-8 with tannic acid to enhance forward osmosis membranes performance in lithium concentration ZIF-8与单宁酸的亲水性对锂浓度下正向渗透膜性能的影响

IF 5.3 2区化学

Journal of Molecular Liquids Pub Date : 2025-04-25 DOI: 10.1016/j.molliq.2025.127666

Shahin Ahmadalipour, Alireza Shakeri

{"title":"Hydrophilization of ZIF-8 with tannic acid to enhance forward osmosis membranes performance in lithium concentration","authors":"Shahin Ahmadalipour, Alireza Shakeri","doi":"10.1016/j.molliq.2025.127666","DOIUrl":"10.1016/j.molliq.2025.127666","url":null,"abstract":"<div><div>In this study, ZIF-8 was modified with tannic acid (ZIF-TA) using an in-situ method to facilitate its incorporation into the polyamide (PA) active layer of thin-film nanocomposite (TFN) membranes. Unmodified ZIF-8 nanoparticles, owing to their hydrophobic nature, cannot be effectively dispersed in the aqueous phase. However, after hydrophilization with tannic acid, ZIF-8 becomes dispersible in the aqueous monomer solution, enabling its integration into the PA layer structure during the interfacial polymerization process. The ZIF-TA nanoparticles were analyzed using some tests such as water contact angle measurement, atomic force microscopy (AFM), scanning electron microscopy (SEM), Fourier-transform infrared spectroscopy (FTIR), and X-ray diffraction (XRD) to evaluate the impact of the nanoparticles on the membrane’s properties and structure. Results verified that ZIF-TA increases the hydrophilicity of membranes and raises the compatibility of the ZIF-8 and PA layers. Moreover, the performance of the membranes in the fouling test, lithium recovery, and FO process were investigated thoroughly. The results indicate that the optimal concentration of ZIF-TA within the PA layer is 1500 ppm, at which the M-1500 **membrane exhibited a water flux of 21.8 LMH in the FO process, 78.68 % higher than the control TFC membrane, which had a water flux of 12.2 LMH. Additionally, the M-1500 membrane demonstrated superior antifouling properties (only 18.2 % of M-1500 was fouled, and after physical cleaning 5.2 % fouling remained) compared to the control TFC membrane (38.6 % was fouled, and after physical cleaning 16.3 % fouling remained), attributed to its favorable surface characteristics. In lithium concentration applications, the M-1500 membrane achieved a water flux of 19.5 LMH and a specific reverse salt flux of 0.1 g/L when treating a feed solution containing 1200 ppm of lithium.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"430 ","pages":"Article 127666"},"PeriodicalIF":5.3,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143898899","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Temperature dependent volumetric, ultrasonic and viscometric properties of cytosine solutions in pure water and in the presence of D-xylose and D-lactose 在纯水和d -木糖和d -乳糖存在下胞嘧啶溶液的温度依赖性体积、超声和粘度特性

IF 5.3 2区化学

Journal of Molecular Liquids Pub Date : 2025-04-25 DOI: 10.1016/j.molliq.2025.127621

Asha Sharmhal , Himani Singh , Richu , Umeshwari , Praveen Kumar Sharma , Ashwani Kumar , Ashish Kumar

{"title":"Temperature dependent volumetric, ultrasonic and viscometric properties of cytosine solutions in pure water and in the presence of D-xylose and D-lactose","authors":"Asha Sharmhal , Himani Singh , Richu , Umeshwari , Praveen Kumar Sharma , Ashwani Kumar , Ashish Kumar","doi":"10.1016/j.molliq.2025.127621","DOIUrl":"10.1016/j.molliq.2025.127621","url":null,"abstract":"<div><div>In the present research work, the thermophysical properties of cytosine were examined across varying concentrations (0.005–0.030 mol kg<sup>−1</sup>) in water and in aqueous solutions of D-xylose/D-lactose (0.05, 0.10, and 0.15 mol kg<sup>−1</sup>) at specific temperatures ranging from 293.15–313.15 K under a pressure of 101.3 kPa. The parameters such as apparent molar volume (<em>V<sub>ϕ</sub></em>), limiting apparent molar volume (<em>V<sup>0</sup><sub>ϕ</sub></em>), hydration number (<em>n<sub>H</sub></em>), limiting apparent molar expansivity (<em>E<sup>0</sup><sub>ϕ</sub></em>), Hepler’s constant (<em>∂E<sup>0</sup><sub>ϕ</sub>/∂T</em>)<em><sub>P</sub></em>, apparent specific volume (<em>ASV</em>), apparent molar isentropic compression (<em>K<sub>ϕ,s</sub></em>), limiting apparent molar isentropic compression (<em>K<sup>0</sup><sub>ϕ,s</sub></em>), viscosity <em>B</em>-coefficients, transfer parameters as well as thermodynamic parameters related to viscous flow were estimated using experimentally determined physical properties like density, speed of sound and viscosity. Furthermore, the Co-sphere overlap model was employed to analyze the various potential interactions occurring in the prepared systems. The results indicated that, across all solution systems, the solute–solvent interactions intensified with rising temperatures and higher concentrations of saccharides. Additionally, the structure-breaking tendency of cytosine was assessed through the sign of Hepler’s constant data for all the investigated systems.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"430 ","pages":"Article 127621"},"PeriodicalIF":5.3,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143895123","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Solubility of SBA-15 revisited 重新考察SBA-15的溶解度

IF 5.3 2区化学

Journal of Molecular Liquids Pub Date : 2025-04-25 DOI: 10.1016/j.molliq.2025.127674

Marta Kalbarczyk , Sebastian Skupiński , Daniel Kamiński , Marek Kosmulski

引用次数: 0

Rate-dependent interfacial adhesive strength and toughness between aggregates and modified asphalt binders in ambient conditions 环境条件下集料与改性沥青粘结剂之间速率相关的界面粘结强度和韧性

IF 5.3 2区化学

Journal of Molecular Liquids Pub Date : 2025-04-25 DOI: 10.1016/j.molliq.2025.127679

Shuliang Wang , Junjie Zhang , Fan He , Jiehao Feng , Chuanhai Wu , Zhixiang Wang , Fulian Chen , Saleh Alghamdi , Yuanyuan Zheng , Fen Du , Dryver Huston , Mandar Dewoolkar , Ting Tan

{"title":"Rate-dependent interfacial adhesive strength and toughness between aggregates and modified asphalt binders in ambient conditions","authors":"Shuliang Wang , Junjie Zhang , Fan He , Jiehao Feng , Chuanhai Wu , Zhixiang Wang , Fulian Chen , Saleh Alghamdi , Yuanyuan Zheng , Fen Du , Dryver Huston , Mandar Dewoolkar , Ting Tan","doi":"10.1016/j.molliq.2025.127679","DOIUrl":"10.1016/j.molliq.2025.127679","url":null,"abstract":"<div><div>Interfacial mechanical behavior was crucial for asphalt mixture performance. This study investigated the rate-dependent interfacial adhesive strength and toughness between aggregates and modified asphalt binders in ambient conditions via combined molecular simulation and experiments. Alumina, silica and calcium carbonate were selected to represent the primary mineral aggregates. Saturate, aromatic, resin and asphaltene were selected to represent the primary components in asphalt binders. Three modifiers, i.e. Styrene-Butadiene-Styrene, Styrene-Butadiene Rubber, and Polyphosphoric Acid, were added into two virgin binders, i.e. PG 64-22 and PG 58-22. Predictions from molecular models were validated by measurements obtained from particle probe scanning force microscopy. It was revealed that adhesion between alumina and binders exceeded the counterparts between silica or calcite and binders of which Van der Waals contributed primarily (>75 %) to aggregate-binder adhesion. Subsequently, aggregate-binder interfaces were probed by molecular electrostatic potentials, diffusion coefficients, radii of gyration, spatial distributions and interfacial morphologies. Furthermore, rate-dependent adhesive strength and toughness were investigated for various aggregate-binder interfaces. The low-speed (<100 m/s), transition (100–300 m/s), and high-speed (>300 m/s) regions were identified from the delamination between aggregates and binders, through which the correlation between interfacial adhesive strength and toughness were established.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"429 ","pages":"Article 127679"},"PeriodicalIF":5.3,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143887609","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

First-principles insights into tegafur to 5-FU conversion driven by H+ ion in the presence of Na+, K+ ions, and water molecule 在Na+， K+离子和水分子存在的情况下，氢离子驱动的四氟到5-FU转化的第一性原理见解

IF 5.3 2区化学

Journal of Molecular Liquids Pub Date : 2025-04-25 DOI: 10.1016/j.molliq.2025.127667

Ali Bizaval , Zahra Karami Horastani , S. Javad Hashemifar

{"title":"First-principles insights into tegafur to 5-FU conversion driven by H+ ion in the presence of Na+, K+ ions, and water molecule","authors":"Ali Bizaval , Zahra Karami Horastani , S. Javad Hashemifar","doi":"10.1016/j.molliq.2025.127667","DOIUrl":"10.1016/j.molliq.2025.127667","url":null,"abstract":"<div><div>In this study, we employ first-principles calculations to investigate the mechanism of tegafur prodrug conversion to 5-Fluorouracil (5-FU), the active anticancer agent. To achieve this, the adsorption of H<sup>+</sup> ion on tegafur is investigated, considering the role of acidity as a key factor and one of the distinctive properties of cancer cells. The results indicate that the most stable configuration of H<sup>+</sup> ion adsorption is directly associated with the conversion of tegafur to 5-FU. To enhance the accuracy of our calculations, the adsorption of Na<sup>+</sup>, K<sup>+</sup> ions, and water molecule is also examined, and the potential for tegafur conversion to 5-FU in the presence of these species is evaluated. The findings revealed that these species alone are incapable of breaking down tegafur, highlighting the stability of this prodrug in the bloodstream. Furthermore, the simultaneous adsorption of these species alongside H<sup>+</sup> ion is investigated. The results demonstrated that under these conditions, H<sup>+</sup> ion is adsorbed, leading to the conversion of tegafur to 5-FU. Based on the obtained results, it can be concluded that the reduced side effects of tegafur, compared to 5-FU, are attributed to its selective conversion to 5-FU in the acidic microenvironment of cancer cells rather than in healthy cells. This selective activation mechanism underscores the therapeutic advantage of tegafur as a prodrug in cancer treatment.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"430 ","pages":"Article 127667"},"PeriodicalIF":5.3,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143899016","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Efficient dispersion of high-content SiO2 particles across a broad pH range with anionic block copolymer in aqueous solution: An experiment and mechanism study 阴离子嵌段共聚物在水溶液中广泛pH范围内高效分散高含量SiO2颗粒：实验与机理研究

IF 5.3 2区化学

Journal of Molecular Liquids Pub Date : 2025-04-25 DOI: 10.1016/j.molliq.2025.127668

Jiejian You , Qing Jiang , Shihao Sun , Xiaocheng Lin , Jincheng Sui , Xiafeng Liao , Zhen Lu , Linxi Hou , Longqiang Xiao

{"title":"Efficient dispersion of high-content SiO2 particles across a broad pH range with anionic block copolymer in aqueous solution: An experiment and mechanism study","authors":"Jiejian You , Qing Jiang , Shihao Sun , Xiaocheng Lin , Jincheng Sui , Xiafeng Liao , Zhen Lu , Linxi Hou , Longqiang Xiao","doi":"10.1016/j.molliq.2025.127668","DOIUrl":"10.1016/j.molliq.2025.127668","url":null,"abstract":"<div><div>Dispersion of SiO<sub>2</sub> particles in aqueous solutions using block copolymers remains challenging, particularly due to degradation in highly alkaline environments and difficulty in achieving high solid content. Herein, we report the synthesis of an anionic block copolymer, poly(glyceryl methacrylate-<em>b</em>-sodium <em>p</em>-styrenesulfonate) (PGGMA-<em>b</em>-PSSS), containing abundant hydroxyl groups, <em>via</em> reversible addition-fragmentation chain transfer (RAFT) polymerization of sodium <em>p</em>-styrenesulfonate and glycidyl methacrylate monomers. The hydroxyl groups in PGGMA-<em>b</em>-PSSS serve as anchoring points, producing a steric hindrance effect between SiO<sub>2</sub> particles by interacting with silanol groups on the particle surface. Furthermore, electrostatic repulsion from the poly(sodium <em>p</em>-styrenesulfonate) block significantly enhances the dispersibility of PGGMA-<em>b</em>-PSSS in aqueous systems. A systematic investigation of the dispersibility of SiO<sub>2</sub> particles was conducted under various compositions and concentrations of PGGMA-<em>b</em>-PSSS across a wide alkaline pH range. Our results show the effective dispersion of sub-micron and micron-sized SiO<sub>2</sub> particles, achieving solid contents of up to 35 wt% over a wide pH range (3–13).</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"429 ","pages":"Article 127668"},"PeriodicalIF":5.3,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143877318","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Acidic deep eutectic solvents for simultaneous extraction of indole and quinoline from wash oil: Performance and mechanistic insights 从洗涤油中同时提取吲哚和喹啉的酸性深共晶溶剂：性能和机理见解

IF 5.3 2区化学

Journal of Molecular Liquids Pub Date : 2025-04-24 DOI: 10.1016/j.molliq.2025.127662

Jinwen Wang , Lan Yi , Jialing Chen , Li Guo , Xiaoqin Wu , Wen-Ying Li

引用次数: 0

A sustainable and comprehensive protocol for spectrofluorimetric assay of lornoxicam in pharmaceutical dosage forms using biomass-based carbon dots: Evaluation of whiteness, greenness, and blueness of the methodology 使用生物质碳点对药物剂型中的氯诺昔康进行荧光光谱分析的可持续和全面的方案：方法的白度、绿度和蓝度评价

IF 5.3 2区化学

Journal of Molecular Liquids Pub Date : 2025-04-24 DOI: 10.1016/j.molliq.2025.127653

Mohamed A. Abdel-Lateef , Noha S. katamesh , Hassanien Gomaa , Ibrahim A. Darwish

{"title":"A sustainable and comprehensive protocol for spectrofluorimetric assay of lornoxicam in pharmaceutical dosage forms using biomass-based carbon dots: Evaluation of whiteness, greenness, and blueness of the methodology","authors":"Mohamed A. Abdel-Lateef , Noha S. katamesh , Hassanien Gomaa , Ibrahim A. Darwish","doi":"10.1016/j.molliq.2025.127653","DOIUrl":"10.1016/j.molliq.2025.127653","url":null,"abstract":"<div><div>In this study, water-soluble carbon dots (B-CDs) were synthesized from the peel of red pitaya fruits. The synthesized B-CDs were characterized and recognized by optical, microscopical, and spectroscopical techniques. In addition, the quantum yield of the prepared B-CDs was determined. The prepared B-CDs exhibit distinctive fluorescence spectra at 369.5 nm and 441.5 nm for excitation and emission, respectively. On the other hand, lornoxicam exhibits a UV-absorbance spectrum with the highest peak of 370 nm, which thoroughly overlapped with fluorescence excitation of the prepared B-CDs and competed with its absorption. Consequently, the fluorescence of the prepared B-CDs was quenched, and a novel fluorescence analytical method was developed to determine lornoxicam based on the primary inner filter effect mechanism. The validation of the method exhibited a linearity of 1.5–12.0 µg/mL with a detection limit of 0.405 µg/mL in addition to satisfactory recovery and accuracy. The study has effectively measured the amount of lornoxicam in different types of pharmaceutical dosage forms. Moreover, to ensure environmental sustainability, greener solvents were chosen in place of hazardous solvents, utilizing the Green Solvents Selecting Tool. Analytical Eco scale, NEMI, AGREE and Agree prep algorithms, SPMS, and Complex-GAPI, as well as an extensive greenness analysis, proved the technique’s advantageous ecological characteristics. In addition, the recent RGB12 and BAGI algorithms were applied to evaluate the greenness framework and were introduced as tools for examining the “whiteness” and “blueness” of the work.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"429 ","pages":"Article 127653"},"PeriodicalIF":5.3,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143869452","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0