Journal of Molecular Liquids最新文献

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EGylated deep eutectic solvent influenced micellization behaviour of [C6mim][Br] ionic liquid in aqueous solutions 乙二醇化的深共晶溶剂影响了[C6mim][Br]离子液体在水溶液中的胶束行为
IF 5.3 2区 化学
Journal of Molecular Liquids Pub Date : 2025-04-11 DOI: 10.1016/j.molliq.2025.127577
Rajat Sinhmar, Deeksha Saini, Vickramjeet Singh
{"title":"EGylated deep eutectic solvent influenced micellization behaviour of [C6mim][Br] ionic liquid in aqueous solutions","authors":"Rajat Sinhmar,&nbsp;Deeksha Saini,&nbsp;Vickramjeet Singh","doi":"10.1016/j.molliq.2025.127577","DOIUrl":"10.1016/j.molliq.2025.127577","url":null,"abstract":"<div><div>The micellization behavior of synthesized surface-active ionic liquid (SAIL), 1-hexyl-3-methyl imidazolium bromide ([C<sub>6</sub>mim][Br]) was studied in aqueous mixtures of deep eutectic solvents (DESs). The micellization of [C<sub>6</sub>mim][Br] in aqueous solutions of polyethylene glycol:citric acid (PEG:CA) and ethylene glycol:citric acid (EG:CA) DESs were evaluated using conductivity measurements, Ultraviolet–visible (UV–Vis) spectroscopy, and Fourier Transform Infrared (FTIR) spectroscopy. The temperature dependence of the critical micelle concentration (CMC) was evaluated using conductivity measurements at 298.15 K, 308.15 K, and 318.15 K, with aqueous DES concentrations of 0.2 M, 0.3 M, and 0.4 M. The double derivative method was applied for CMC determination, revealing anomalous behavior in the variation of CMC with DES concentration. UV–Vis and FTIR spectroscopic techniques evaluated the molecular interactions occurring in the aqueous mixture.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"429 ","pages":"Article 127577"},"PeriodicalIF":5.3,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143838267","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
Enhanced hydroxyapatite growth on polyfunctionalized polypropylene films for bone tissue engineering 羟基磷灰石在骨组织工程用多功能化聚丙烯薄膜上的增强生长
IF 5.3 2区 化学
Journal of Molecular Liquids Pub Date : 2025-04-11 DOI: 10.1016/j.molliq.2025.127583
Thelma S.P. Cellet , Guilherme M. Pereira , Elizângela H. Fragal , Mychelle V.P. Companhoni , Tânia U. Nakamura , Adley F. Rubira
{"title":"Enhanced hydroxyapatite growth on polyfunctionalized polypropylene films for bone tissue engineering","authors":"Thelma S.P. Cellet ,&nbsp;Guilherme M. Pereira ,&nbsp;Elizângela H. Fragal ,&nbsp;Mychelle V.P. Companhoni ,&nbsp;Tânia U. Nakamura ,&nbsp;Adley F. Rubira","doi":"10.1016/j.molliq.2025.127583","DOIUrl":"10.1016/j.molliq.2025.127583","url":null,"abstract":"<div><div>Functionalized PP films with PNIPAAm and PGMA-Amin are used to improve the hydroxyapatite (HAp) growth by the biomimetic method using simulated body fluid (SBF). Initially, PP films are functionalized with maleimide groups (PP-MAL), and then, NIPAAm or GMA is photopolymerized onto the PP-MAL. The films containing PGMA are also submitted to chemical functionalization with ethylenediamine to produce hydroxyl and amine groups on the surface. Functionalized films are used to grow HAp via biomimetic mineralization in SBF for 7, 14, and 21 days. SEM images display that the different groups and time of mineralization influence the growth of HAp over the films and both PP-PGMA-Amin and PNIPAAm films promote hydroxyapatite growth. After 14 days, HAp layers of 18.1 ± 2.9 µm and 2.7 ± 0.3 µm are produced on PP-PGMA-Amin and PNIPAAm, respectively. At 21 days, these layers reached 54.1 ± 4.9 µm and 54.6 ± 5.6 µm. Films immersed for 21 days display better homogeneity than that immersed for 7 and 14 days. The biocompatibility of the films is evaluated using pre-osteoblast (MC3T3-E1). The contact angle of 63° ± 1° indicates that the HAP-coated surfaces exhibited greater hydrophilic behavior compared to the pristine PP films, consequently enhancing cell adhesion. SEM images after 48 h of incubation of pre-osteoblast exhibited strong adhesion of the cells on the films, suggesting the HAP-coated PP-PNIPAAm and PP-PGMA-Amin have promising potential as templates to support <em>in vitro</em> cell growth for tissue engineering applications.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"429 ","pages":"Article 127583"},"PeriodicalIF":5.3,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143844136","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
Thermodynamic properties of low-dimensional (D < 3) Lennard-Jones fluids 低维(D < 3)Lennard-Jones流体的热力学性质
IF 5.3 2区 化学
Journal of Molecular Liquids Pub Date : 2025-04-11 DOI: 10.1016/j.molliq.2025.127529
Simon Homes , Peter Mausbach , Monika Thol , Isabel Nitzke , Jadran Vrabec
{"title":"Thermodynamic properties of low-dimensional (D < 3) Lennard-Jones fluids","authors":"Simon Homes ,&nbsp;Peter Mausbach ,&nbsp;Monika Thol ,&nbsp;Isabel Nitzke ,&nbsp;Jadran Vrabec","doi":"10.1016/j.molliq.2025.127529","DOIUrl":"10.1016/j.molliq.2025.127529","url":null,"abstract":"<div><div>Molecular dynamics simulations are conducted to explore the thermodynamic properties of one-dimensional (1<em>D</em>) and two-dimensional (2<em>D</em>) Lennard-Jones (LJ) fluids. For this purpose, analytical long-range corrections are derived for the LJ potential up to five spatial dimensions. In 1<em>D</em>, the investigation addresses a hypothetical phase transition, which is theoretically only possible for infinitely long-ranged interactions. Despite employing a large cut-off radius and long-range corrections, no indication of such a transition is observed in terms of pressure, internal energy or chemical potential, which suggests that the dispersive <span><math><msup><mrow><mi>r</mi></mrow><mrow><mo>−</mo><mn>6</mn></mrow></msup></math></span> attraction of the LJ potential decays too rapidly. In 2<em>D</em>, thermodynamic properties are sampled over wide temperature and density ranges and used to develop an equation of state that adequately describes the vapor-liquid equilibrium, also near the critical point. Furthermore, the isotropic-hexatic phase transition in 2<em>D</em> is investigated. It is focused on two temperatures, applying finite-size scaling of the Helmholtz energy barrier. At <span><math><mi>T</mi><mo>=</mo><mn>3</mn></math></span>, a first-order phase transition is found, but a continuous transition occurs at <span><math><mi>T</mi><mo>=</mo><mn>30</mn></math></span>, confirming KTHNY theory. Several thermodynamic properties are studied around the isotropic-hexatic phase transition at those two temperatures.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"429 ","pages":"Article 127529"},"PeriodicalIF":5.3,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143834976","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 morphological evolution of impact nanodroplets induced by dynamics and intermolecular interactions 动力学和分子间相互作用诱导的碰撞纳米液滴形态演化
IF 5.3 2区 化学
Journal of Molecular Liquids Pub Date : 2025-04-11 DOI: 10.1016/j.molliq.2025.127574
Niming Peng , Lanlan Wang , Rong Wei , A. Hubao , Guojun Li , Wei Jiang , Weitao Jiang , Hongzhong Liu
{"title":"The morphological evolution of impact nanodroplets induced by dynamics and intermolecular interactions","authors":"Niming Peng ,&nbsp;Lanlan Wang ,&nbsp;Rong Wei ,&nbsp;A. Hubao ,&nbsp;Guojun Li ,&nbsp;Wei Jiang ,&nbsp;Weitao Jiang ,&nbsp;Hongzhong Liu","doi":"10.1016/j.molliq.2025.127574","DOIUrl":"10.1016/j.molliq.2025.127574","url":null,"abstract":"<div><div>Droplet impact on moving substrates is a prevalent phenomenon in grating antifouling, nanoimprint lithography, and inkjet printing. However, how substrate surface properties and dynamic scenarios modify the droplet impact process, especially at the nanoscale, is unclear. Hence, the water nanodroplets impact dynamic solid surfaces is investigated through molecular dynamics simulations in this work. A wide regime of morphologic evolution modes of impinging behaviors, from wetting-spreading (WS) to impact-breakup (IB), have been distinguished by altering normal impact velocities, substrate surface properties, and substrate moving velocities. Four surface properties are normalized by the potential well depth of average Lennard-Jones (LJ) potential energy field (<em>ε</em><sub>a</sub>) from intermolecular interactions and surface topographies. As a boundary condition, five impact equilibrium states are summarized under different <em>ε</em><sub>a</sub> with a wide range of dynamic conditions. We demonstrate that the crucial configuration of droplet bounce is a function of the normal Reynolds number (<em>Re</em><sub>n</sub>) and the tangential Weber number (<em>We</em><sub>t</sub>), which may be expressed as: <em>k</em><sub>0</sub><em>We</em><sub>t</sub><em>Re</em><sub>n</sub> + <em>k</em><sub>1</sub><em>We</em><sub>t</sub> + <em>k</em><sub>2</sub><em>Re</em><sub>n</sub> + <em>k</em><sub>3</sub> = 0. This criterion gives a good prediction for the bounce of water nanodroplet after impacting on a substrate with surface properties (<em>ε</em><sub>a</sub>) and dynamic factors coupled. Our findings and results enhance the understanding of the bouncing of impact nanodroplets on dynamic substrates and provide a strategy for grating antifouling, photoresist-drop dispensing in nanoimprint lithography, and anti-icing, which are associated with managing nanodroplet impact behaviors.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"429 ","pages":"Article 127574"},"PeriodicalIF":5.3,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143838269","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
Mass transfer study in soybean oil extraction using ethanol and mixtures with p-cymene as co-solvent: Early uses of pore volume and surface diffusion model 乙醇和对花香烃混合物作为共溶剂萃取大豆油的传质研究:孔隙体积和表面扩散模型的早期应用
IF 5.3 2区 化学
Journal of Molecular Liquids Pub Date : 2025-04-10 DOI: 10.1016/j.molliq.2025.127571
Felipe Brondani Teixeira Ribas, Henrique Gasparetto, Nina Paula Gonçalves Salau
{"title":"Mass transfer study in soybean oil extraction using ethanol and mixtures with p-cymene as co-solvent: Early uses of pore volume and surface diffusion model","authors":"Felipe Brondani Teixeira Ribas,&nbsp;Henrique Gasparetto,&nbsp;Nina Paula Gonçalves Salau","doi":"10.1016/j.molliq.2025.127571","DOIUrl":"10.1016/j.molliq.2025.127571","url":null,"abstract":"<div><div>Green solvents are widely explored for extracting oil from raw vegetable materials. As an alternative to hexane, ethanol is used in oil extraction but exhibits partial miscibility, requiring a co-solubilizer. p-Cymene, selected based on Hansen solubility parameter (<span><math><mrow><mi>HSP</mi></mrow></math></span>), enhances miscibility due to the reduced distance between solute and solvent, as indicated by the decrease in relative energy difference (<span><math><mrow><mi>RED</mi></mrow></math></span>). This study evaluated the pore volume and surface diffusion model (PVSDM) for vegetable oil extraction, with statistical results supporting its suitability. The best fits obtained were 0.990, 0.076, and 0.004 for <span><math><msup><mrow><mi>R</mi></mrow><mn>2</mn></msup></math></span>, <span><math><mrow><mi>SAE</mi></mrow></math></span>, and <span><math><mrow><mi>RMSE</mi></mrow></math></span>, respectively. The experimental data fit better to the PVSDM than the power-law models. While the So and MacDonald model fit more accurately, inconsistencies arose due to the non-stationary profile of the experimental data. Mechanistically, the PVSDM provided richer insights into mass transfer compared to the mass transfer kinetic model (MTKM). Extraction at 25 °C was influenced by the co-solvent addition, which may aid energy savings. <span><math><msup><mrow><mi>χ</mi></mrow><mn>2</mn></msup></math></span> and Fisher tests confirmed the model’s predictive accuracy. These findings are valuable for further exploration of soybean oil as a feedstock for food and biodiesel production.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"428 ","pages":"Article 127571"},"PeriodicalIF":5.3,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143824020","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
Tuning interphase behavior of thermo-responsive block polymer assemblies for enhanced filter cake performance 调整热敏嵌段聚合物组件的界面行为以增强滤饼性能
IF 5.3 2区 化学
Journal of Molecular Liquids Pub Date : 2025-04-10 DOI: 10.1016/j.molliq.2025.127573
Lesly Dasilva Wandji Djouonkep , Zhengzai Cheng , Mario Gauthier
{"title":"Tuning interphase behavior of thermo-responsive block polymer assemblies for enhanced filter cake performance","authors":"Lesly Dasilva Wandji Djouonkep ,&nbsp;Zhengzai Cheng ,&nbsp;Mario Gauthier","doi":"10.1016/j.molliq.2025.127573","DOIUrl":"10.1016/j.molliq.2025.127573","url":null,"abstract":"<div><div>Fluid loss in deep drilling formations poses a persistent challenge, necessitating advanced synthetic polymer additives to ensure efficient filter cake formation. Conventional additives often fail to maintain thermal stability and compact filter cake under high-temperature and high-salt conditions. In this study, a low molecular weight thermo-responsive block polymer (DAMP) was synthesized via in-situ polymerization with unique interphase transition responses above its lower critical solution temperature (LCST). The molecular architecture of DAMP consisted of N,N-diethylacrylamide for thermo-responsiveness, 2-acrylamido-2-methyl-1-propanesulfonic acid and acrylamide for stability, and a chain transfer agent for molecular control, enabling controlled thermally-triggered end-chain assemblies to dynamically regulate filter cake properties in water-based drilling fluids (WDFs). Experimental results reveal that DAMP exhibits an LCST of 85 °C, exceptional thermal stability up to 362 °C, and retains around 80 % of its rheological properties after aging at 220 °C, surpassing conventional polyacrylonitrile (PAN) homopolymers. Additionally, X-ray diffraction (XRD) and scanning electron microscopy (SEM) confirm the formation of entangled structural assemblies and a thin, compact filter cake microstructure post-aging. In 15 % NaCl at 220 °C, 2 % DAMP formulation significantly mitigates fluid loss, achieving API fluid loss (FL<sub>API</sub>) and high-temperature high-pressure fluid loss (FL<sub>HTHP</sub>) values of only 4.7 mL and 19.7 mL, respectively. Environmental assessments using earthworms demonstrated that DAMP-fluid filtrate possesses low toxicity, with earthworm survival rate exceeding 89 % at 8 % after 7 days of incubation. These findings highlight DAMP innovative molecular design and interphase behavior for optimizing drilling fluid performance under hostile environmental conditions.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"428 ","pages":"Article 127573"},"PeriodicalIF":5.3,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143824454","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-switchable ionic liquids using a variety of anions 溶解度可切换的离子液体,使用多种阴离子
IF 5.3 2区 化学
Journal of Molecular Liquids Pub Date : 2025-04-10 DOI: 10.1016/j.molliq.2025.127554
Akio Kamimura, Nao Kaneko, Runa Sasakura, Karin Hirota, Takuji Kawamoto, Yuna Deguchi, Tomoya Tashiro, Kenta Fujii
{"title":"Solubility-switchable ionic liquids using a variety of anions","authors":"Akio Kamimura,&nbsp;Nao Kaneko,&nbsp;Runa Sasakura,&nbsp;Karin Hirota,&nbsp;Takuji Kawamoto,&nbsp;Yuna Deguchi,&nbsp;Tomoya Tashiro,&nbsp;Kenta Fujii","doi":"10.1016/j.molliq.2025.127554","DOIUrl":"10.1016/j.molliq.2025.127554","url":null,"abstract":"<div><div>Various solubility switchable ionic liquids containing triflate, PF<sub>6</sub> and BF<sub>4</sub> anions were prepared. The protection-deprotection of the diol moiety in the cationic part was achieved under mild conditions in the presence of small amounts of an acidic ion exchange resin as an acidic catalyst. These relatively mild conditions allowed the conversion from the acetal type to the diol type in a high yield and the hydrolysis of PF<sub>6</sub> and BF<sub>4</sub> was minimized. The reverse conversion from the diol type to the acetal type was also possible in the presence of catalytic amounts of trifluoromethansulfonic acid (TfOH). Subsequent treatment with an alumina column was effectively prevented the hydrolysis of the acetal moiety and the anionic moieties. Partitioning experiments revealed that most of the acetal-type ionic liquids preferred to partition to organic phase regardless of the water-CH<sub>2</sub>Cl<sub>2</sub> or water-EtOAc system, while the diol-type ionic liquids mostly preferred to partition to the aqueous phase as long as the number of carbons in the cationic part was less than 13 or 14, which was much larger than the number of carbons in the analogous ionic liquids containing NTf<sub>2</sub> as the anionic part.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"428 ","pages":"Article 127554"},"PeriodicalIF":5.3,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143824456","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
Investigating the impact of N2 concentration on ternary gas hydrate formation for CH4 production and CO2 storage 研究 N2 浓度对用于生产甲烷和封存二氧化碳的三元气体水合物形成的影响
IF 5.3 2区 化学
Journal of Molecular Liquids Pub Date : 2025-04-10 DOI: 10.1016/j.molliq.2025.127578
Junghoon Mok , Sungwoo Kim , Jonghyuk Lee , Wonjung Choi , Yongwon Seo
{"title":"Investigating the impact of N2 concentration on ternary gas hydrate formation for CH4 production and CO2 storage","authors":"Junghoon Mok ,&nbsp;Sungwoo Kim ,&nbsp;Jonghyuk Lee ,&nbsp;Wonjung Choi ,&nbsp;Yongwon Seo","doi":"10.1016/j.molliq.2025.127578","DOIUrl":"10.1016/j.molliq.2025.127578","url":null,"abstract":"<div><div>This study was conducted to explore the intricacies of gas hydrate formation behavior in CH<sub>4</sub> + CO<sub>2</sub> + N<sub>2</sub> mixtures, focusing on the impact of N<sub>2</sub> inclusion from both kinetic and thermodynamic perspectives. The three-phase equilibria of CH<sub>4</sub> + CO<sub>2</sub> + N<sub>2</sub> hydrates were measured, and gas consumption experiments were conducted to determine the selectivity of guest molecules in the mixed hydrates. The results indicated that the inclusion of N<sub>2</sub> led to decreased gas uptake, hydrate conversion, and formation kinetics, which could be attributed to the thermodynamic inhibition effect resulting from N<sub>2</sub> enrichment in the vapor phase during hydrate formation. The guest compositions in the hydrate phase and the amount of enclathrated guests were quantitatively assessed during and after hydrate formation. The findings showed that the quantity of N<sub>2</sub> trapped within the hydrates increased with its initial vapor phase concentration, but this did not significantly influence the enclathration behaviors of CO<sub>2</sub> and CH<sub>4</sub>. Consequently, the ratio of CO<sub>2</sub> and CH<sub>4</sub> remained consistent in both the vapor and hydrate phases, irrespective of the N<sub>2</sub> concentration during and after hydrate formation. This study conclusively demonstrated the consistent enclathrating behaviors of CO<sub>2</sub> and CH<sub>4</sub>, even with the addition of N<sub>2</sub>. The findings provide valuable practical insights for hydrate-based CO<sub>2</sub> sequestration and natural gas production.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"429 ","pages":"Article 127578"},"PeriodicalIF":5.3,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143835151","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
Indirect fluorimetric determination of 1-ethyl-3-methylimidazolium bromide optimized by design of experiments with high greenness value 通过高绿度实验设计,优化了间接荧光法测定1-乙基-3-甲基咪唑溴的方法
IF 5.3 2区 化学
Journal of Molecular Liquids Pub Date : 2025-04-10 DOI: 10.1016/j.molliq.2025.127556
Héctor Hernán Hernández Zarta , Alicia Viviana Veglia
{"title":"Indirect fluorimetric determination of 1-ethyl-3-methylimidazolium bromide optimized by design of experiments with high greenness value","authors":"Héctor Hernán Hernández Zarta ,&nbsp;Alicia Viviana Veglia","doi":"10.1016/j.molliq.2025.127556","DOIUrl":"10.1016/j.molliq.2025.127556","url":null,"abstract":"<div><div>Design of Experiments (DOE) was used to develop optimal conditions for studying the interaction between the ionic liquid 1-ethyl-3-methylimidazolium bromide (EMI) and p-tert-butylthiacalix[4]arene (TC) using UV–Vis and spectrofluorimetric techniques. The study involved varying TC concentrations (0 to 2 µM), EMI concentrations (0 to 2 mM), and ethanol–water (E/W) ratios (pH 6.000; 25.0 °C). The absorbance of TC followed a cubic relationship concerning the ethanol, water, and EMI content (R<sup>2</sup> = 0.9744). Optimal solubilization of TC was achieved at an E/W ratio of 65/35 v/v, with no influence from EMI. However, under these optimal conditions, TC fluorescence emission decreased with increasing EMI concentrations. This observation enabled the determination of Stern-Volmer quenching constants at various temperatures, averaging (3.3 ± 0.4) × 10<sup>3</sup> M<sup>−1</sup>, indicating the formation of a non-fluorescent supramolecular complex in the ground state. This interpretation was supported by fluorescence lifetime and anisotropy measurements. Additionally, this constant reflects the sensitivity of the EMI calibration curve, with a limit of detection (LOD) of (19.2 ± 0.6) µM, which is an improvement over the previously reported value. The method also demonstrated favourable environmental friendliness.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"429 ","pages":"Article 127556"},"PeriodicalIF":5.3,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143844133","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
Efficiency of salinity-responsive ZnO/PEG nanocomposite on the immiscible fluid-fluid displacement and interface behavior in different formations 盐度响应ZnO/PEG纳米复合材料对不同地层非混相流体驱替和界面行为的影响
IF 5.3 2区 化学
Journal of Molecular Liquids Pub Date : 2025-04-10 DOI: 10.1016/j.molliq.2025.127462
Milad Omidvar , MohammadHossein Shabani , Naser Asadzadeh , Arezou Jafari , Zahra Fakhroueian , Ebrahim Biniaz-Delijani
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