Journal of Molecular Liquids最新文献

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Thermodynamic Assessment for Rivaroxaban Nanoparticle Production Using Gas Anti-solvent (GAS) Process: Synthesis and Characterization
IF 5.3 2区 化学
Journal of Molecular Liquids Pub Date : 2025-02-10 DOI: 10.1016/j.molliq.2025.127125
Mahshid Askarizadeh , Nadia Esfandiari , Bizhan Honarvar , Seyed Ali Sajadian , Amin Azdarpour
{"title":"Thermodynamic Assessment for Rivaroxaban Nanoparticle Production Using Gas Anti-solvent (GAS) Process: Synthesis and Characterization","authors":"Mahshid Askarizadeh ,&nbsp;Nadia Esfandiari ,&nbsp;Bizhan Honarvar ,&nbsp;Seyed Ali Sajadian ,&nbsp;Amin Azdarpour","doi":"10.1016/j.molliq.2025.127125","DOIUrl":"10.1016/j.molliq.2025.127125","url":null,"abstract":"<div><div>Nanoparticles of Rivaroxaban were successfully created using the supercritical gas antisolvent method. The study focused on the effects of pressure, temperature, and initial solute concentration on the size and shape of the nanoparticles, utilizing the Box-Behnken design approach. The optimal conditions were determined to be an initial Rivaroxaban concentration of 25 mg/ml, a pressure of 160 bar and a temperature of 318 K. These parameters resulted in nanoparticles of 340.1 ± 10.7 nm, significantly smaller than the original sample (45 μm). Different analytical methods, including XRD, DLS, DSC, FTIR and FESEM were used to study the Rivaroxaban nanoparticles. The findings indicated that the nanoparticles produced through the GAS antisolvent method had lower crystallinity. The FESEM and DLS data confirmed the nanometer size and narrow distribution of the Rivaroxaban particles obtained through this method.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"424 ","pages":"Article 127125"},"PeriodicalIF":5.3,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143422323","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
Advancements in photocatalytic systems for ciprofloxacin degradation, efficiency, mechanisms, and environmental considerations
IF 5.3 2区 化学
Journal of Molecular Liquids Pub Date : 2025-02-10 DOI: 10.1016/j.molliq.2025.127115
Muhammad Idrees , Zia Ul Haq Khan , Sana Sabahat , Jingyu Sun , Noor Samad Shah , Jibran Iqbal
{"title":"Advancements in photocatalytic systems for ciprofloxacin degradation, efficiency, mechanisms, and environmental considerations","authors":"Muhammad Idrees ,&nbsp;Zia Ul Haq Khan ,&nbsp;Sana Sabahat ,&nbsp;Jingyu Sun ,&nbsp;Noor Samad Shah ,&nbsp;Jibran Iqbal","doi":"10.1016/j.molliq.2025.127115","DOIUrl":"10.1016/j.molliq.2025.127115","url":null,"abstract":"<div><div>In aquatic ecosystems, the presence of ciprofloxacin (CIP) causes substantial environmental and public health risks, which require advanced water treatment procedures beyond conventional methods. This review emphasizes on the recent advances in the photocatalytic degradation of CIP, exploring the efficiency and mechanisms of various photocatalysts, covering 11 categories of metal-based, carbon-based, and hybrid nanostructures. The review underlines the major importance of photocatalyst morphology, surface area, doping, and the construction of heterojunctions in improving photocatalytic activity. Moreover, it addresses the causes of CIP pollution, the environmental repercussions of CIP, and its role in antibiotic resistance. The review offers a comprehensive overview of recent papers emphasizing the potential of photocatalysis driven by ultraviolet, visible, UV–visible, and solar light irradiation. Several studies underline the relevance of immobilizing photocatalysts for large-scale water treatment applications. The review concludes by identifying the significant obstacles and future approaches for developing more effective, sustainable, and large-scale photocatalytic systems for CIP degradation in wastewater.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"424 ","pages":"Article 127115"},"PeriodicalIF":5.3,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143403668","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
An overview on advancements in hydrogels for effective wastewater treatment
IF 5.3 2区 化学
Journal of Molecular Liquids Pub Date : 2025-02-10 DOI: 10.1016/j.molliq.2025.127120
Amruta Pattnaik, Prabir Ghosh, Anil Kumar Poonia
{"title":"An overview on advancements in hydrogels for effective wastewater treatment","authors":"Amruta Pattnaik,&nbsp;Prabir Ghosh,&nbsp;Anil Kumar Poonia","doi":"10.1016/j.molliq.2025.127120","DOIUrl":"10.1016/j.molliq.2025.127120","url":null,"abstract":"<div><div>Hydrogels, three-dimensional networks of polymers with excellent water retention properties, have emerged as adaptable wastewater treatment materials. This mini-review discusses current advances in hydrogel technology. These<!--> <!-->possess a large surface area, porosity, and functional diversity that enable them to efficiently absorb and eliminate contaminants through a variety of physical and chemical interactions. Hydrogel synthesis innovations, such as free radical polymerisation, ionic gelation, and interpenetrating polymer networks (IPNs), have resulted in the production of hydrogels that are strong, long-lasting, and selective for certain pollutants. The integration of antibacterial agents, surface functionalisation, and the development of composite hydrogels with materials<!--> <!-->has considerably increased their efficiency. This review also looks at the regenerative and reusable properties of hydrogels, emphasizing their cost-effectiveness and sustainability. By reviewing these achievements, this article aims to provide a thorough knowledge of hydrogel-based technologies and their potential to revolutionize wastewater treatment, providing effective and environmentally friendly solutions for environmental cleanup.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"424 ","pages":"Article 127120"},"PeriodicalIF":5.3,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143421805","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
Innovative fluorescent nanocomposite eutectogels: Design and characterization towards biosensing applications
IF 5.3 2区 化学
Journal of Molecular Liquids Pub Date : 2025-02-10 DOI: 10.1016/j.molliq.2025.127123
Yolanda Alacid , Raúl Martínez-Baquero , Rocío Esquembre , Francisco Montilla , María José Martínez-Tomé , C. Reyes Mateo
{"title":"Innovative fluorescent nanocomposite eutectogels: Design and characterization towards biosensing applications","authors":"Yolanda Alacid ,&nbsp;Raúl Martínez-Baquero ,&nbsp;Rocío Esquembre ,&nbsp;Francisco Montilla ,&nbsp;María José Martínez-Tomé ,&nbsp;C. Reyes Mateo","doi":"10.1016/j.molliq.2025.127123","DOIUrl":"10.1016/j.molliq.2025.127123","url":null,"abstract":"<div><div>Recent advancements in materials science have led to the creation of innovative gel formulations like eutectogels, which exploit the distinctive characteristics of deep eutectic solvents (DES) to enhance the functionality and versatility of traditional gel systems. By incorporating fluorescent nanoparticles, eutectogels gain luminescent properties, significantly increasing their performance. In this study, we have developed and characterized a novel nanocomposite eutectogel by integrating conjugated polymer-based nanoparticles (CPNs) with varying emission bands, derived from either polyfluorene or poly(phenylenevinylene). Before synthesizing the fluorescent eutectogels, it was confirmed that the nanoparticles maintained the same fluorescent properties in both DES and aqueous solution. The results show that the incorporation of CPNs inside the eutectogels provides fluorescent materials with good properties in terms of integrity, thermal stability, homogeneity and reproducibility allowing their preservation during weeks. The fluorescent nanocomposite eutectogels were tested as sensing platforms by immobilizing enzymes. In particular, the capability of these materials to act as fluorescent biosensors for detecting hydrolase activity was successfully demonstrated, with alkaline phosphatase entrapped in the nanocomposite eutectogel serving as the model enzyme. This finding is one of the first demonstrations of the functioning of an enzyme in an eutectogel.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"424 ","pages":"Article 127123"},"PeriodicalIF":5.3,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143388351","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Mechanical activation improves green depressant starch for the flotation separation of pyrite from chalcopyrite via molecular structure optimization
IF 5.3 2区 化学
Journal of Molecular Liquids Pub Date : 2025-02-10 DOI: 10.1016/j.molliq.2025.127122
Lixinran Zhao , Keyao Li , Sokhibjon Turdalievich Matkarimov , Cheng Liu , Shenxu Bao , Siyuan Yang
{"title":"Mechanical activation improves green depressant starch for the flotation separation of pyrite from chalcopyrite via molecular structure optimization","authors":"Lixinran Zhao ,&nbsp;Keyao Li ,&nbsp;Sokhibjon Turdalievich Matkarimov ,&nbsp;Cheng Liu ,&nbsp;Shenxu Bao ,&nbsp;Siyuan Yang","doi":"10.1016/j.molliq.2025.127122","DOIUrl":"10.1016/j.molliq.2025.127122","url":null,"abstract":"<div><div>For the first time, the present study uses the mechanically activating method to enhance the depression selectivity of natural polymers, which applies the mechanically activated starch (MAS) for the flotation depression of pyrite from chalcopyrite. After the addition of MAS prepared in an appropriate condition, the flotation recovery of pyrite decreased by 72 % while the chalcopyrite recovery remained nearly unaffected. Adsorption tests, Zeta potential measurements and X-ray photoelectron spectroscopy (XPS) analysis show that MAS primarily chemisorbed onto the pyrite surface by forming covalent bonds with surface iron atoms, thereby reducing its hydrophobicity. Proton nuclear magnetic resonance (<sup>1</sup>HNMR) test results indicate that mechanical activation can alter the internal structure of MAS, thereby increasing its activity. Frontier orbital analysis and molecular dynamics simulations further confirm the chemisorption of MAS on the pyrite surface and the MAS prepared under different intensities of mechanical activations have different adsorption abilities on the pyrite surface. The MAS prepared under moderate mechanical activation has the best adsorption and depression abilities, which is attributed to the exposure of more interacting sites and remains of relatively large molecular weight. This research highlights the potential of MAS as an environmentally friendly alternative to traditional macromolecular depressants, offering a sustainable approach that can reduce environmental impact. It also provides valuable insights into the novel application of mechanically activated polymers in the field of mineral flotation.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"424 ","pages":"Article 127122"},"PeriodicalIF":5.3,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143387920","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
Impact of antifreeze and promoter on clathrate hydrate nucleation and growth
IF 5.3 2区 化学
Journal of Molecular Liquids Pub Date : 2025-02-10 DOI: 10.1016/j.molliq.2025.127118
Parth Kanani , K. Ganesh Reddy , Md Adil, Atanu K. Metya
{"title":"Impact of antifreeze and promoter on clathrate hydrate nucleation and growth","authors":"Parth Kanani ,&nbsp;K. Ganesh Reddy ,&nbsp;Md Adil,&nbsp;Atanu K. Metya","doi":"10.1016/j.molliq.2025.127118","DOIUrl":"10.1016/j.molliq.2025.127118","url":null,"abstract":"<div><div>A deeper understanding of the nucleation and growth mechanisms involved in carbon dioxide (CO<sub>2</sub>)/methane (CH<sub>4</sub>) gas hydrate formation has significant implications for natural gas exploitation, as well as for greenhouse gas capture, storage, and transportation. To enhance CO<sub>2</sub>/CH<sub>4</sub> gas uptake, introducing chemical additives into the solution can effectively accelerate the hydrate formation process. In this study, we employ molecular dynamics to examine how antifreeze molecules like ammonia (NH<sub>3</sub>) and methanol (CH<sub>3</sub>OH), along with and without the thermodynamic promoter tetrahydrofuran (THF), influence the kinetics of CO<sub>2</sub>/CH<sub>4</sub> gas hydrate nucleation and growth stages. We find that nucleation does not occur in the presence of antifreeze at 100 % CO<sub>2</sub> gas in solution, while it does occur with gas mixtures containing 75 % and 50 % CO<sub>2</sub> within simulation time period. The results demonstrate that hydrate nucleation begins with the formation of the small 5<sup>12</sup> cages and a greater number of these small cages are formed compared to the large 6<sup>2</sup>5<sup>12</sup> and 6<sup>4</sup>5<sup>12</sup> cages. Furthermore, in the presence of THF or a combination of antifreeze and THF, cage formation increases as CO<sub>2</sub> concentration in the gas mixtures reduces. The concentration of CO<sub>2</sub> in gas mixture significant influences the cages formation when both an antifreeze and a promoter are present. The result display that in the presence of both antifreeze and promoter reduces the induction time and enhances the nucleation rate of the gas hydrate formation compared to the presence of an antifreeze alone. The finding supports experimental evidence that more CH<sub>4</sub> molecules are trapped in the 5<sup>12</sup> cages when both antifreeze and THF are present, compared to hydrate formation without antifreeze. Furthermore, the study highlights the influence of temperature, pressure, and antifreeze molecule concentration on gas hydrate formation. The results indicate that increasing temperature reduces the hydrate formation during the initial formation stage but promotes the trapping of more gas molecules inside the cages during the growth phase Additionally, higher antifreeze concentrations suppress both gas hydrate formation and gas uptake capacity. At elevated temperatures (270 K and 50 MPa), the formation of a greater number of 5<sup>12</sup> and 6<sup>4</sup>5<sup>12</sup> cages is observed, with THF molecules predominantly occupying the 6<sup>4</sup>5<sup>12</sup> cages, suggesting the formation of THF hydrates. The finding reveals the effect of thermodynamic conditions and chemical additives in gas hydrate formation processes.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"424 ","pages":"Article 127118"},"PeriodicalIF":5.3,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143402980","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
Molecular dynamics simulations of methane flow behavior in clay and methane hydrate nanopores
IF 5.3 2区 化学
Journal of Molecular Liquids Pub Date : 2025-02-08 DOI: 10.1016/j.molliq.2025.127112
Kai Zhang , Guijing Li , Shihui Ma , Lei Wang , Zaixing Liu , Zhiheng Liu , Tingting Luo , Jia-nan Zheng , Zhaoran Wu
{"title":"Molecular dynamics simulations of methane flow behavior in clay and methane hydrate nanopores","authors":"Kai Zhang ,&nbsp;Guijing Li ,&nbsp;Shihui Ma ,&nbsp;Lei Wang ,&nbsp;Zaixing Liu ,&nbsp;Zhiheng Liu ,&nbsp;Tingting Luo ,&nbsp;Jia-nan Zheng ,&nbsp;Zhaoran Wu","doi":"10.1016/j.molliq.2025.127112","DOIUrl":"10.1016/j.molliq.2025.127112","url":null,"abstract":"<div><div>The hydrates reservoir permeability is an important assessment criterion that affects the value of reservoir extraction. However, the state of fluid flow within the nanopore can affect the measurement of reservoir permeability. In addition, liquid-phase flow used to study intrinsic permeability is not applicable to clay reservoirs due to cementation. Therefore, it is essential to study the flow state of fluid within nanopores using molecular dynamics simulations. In this paper, methane flows in montmorillonite, methane hydrate, and montmorillonite-hydrate nanopores. The results show that larger pore sizes and smaller pore pressures enhance molecular transport and increase the volume flux. The flow state within the montmorillonite-hydrate nanopores is intermediate between the montmorillonite and methane hydrate nanopores. The interaction energy between the methane molecules and the wall, as well as the adsorption force, are important criteria for assessing whether slippage has occurred. In addition, the permeability characteristics of different nanopores were calculated, and the results show that the apparent permeability of montmorillonite nanopores is significantly higher than that of methane hydrate nanopores, while the intrinsic permeability is similar. Driving differential pressure does not affect permeability. This study is meaningful for the analysis of fluid flow within the nanopore as well as permeability.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"424 ","pages":"Article 127112"},"PeriodicalIF":5.3,"publicationDate":"2025-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143402985","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
Stable aggregated silver nanoparticle in water with strong and wavelength-tunable localized surface plasmon resonance for liquid-state SERS substrates
IF 5.3 2区 化学
Journal of Molecular Liquids Pub Date : 2025-02-08 DOI: 10.1016/j.molliq.2025.127113
Rongjing Hu , Chenyi Zeng , Jingwen Zhang , Jinhua Xu , Cheng Pan , Zhenyu Lin , Fengfu Fu , Yongqiang Dong
{"title":"Stable aggregated silver nanoparticle in water with strong and wavelength-tunable localized surface plasmon resonance for liquid-state SERS substrates","authors":"Rongjing Hu ,&nbsp;Chenyi Zeng ,&nbsp;Jingwen Zhang ,&nbsp;Jinhua Xu ,&nbsp;Cheng Pan ,&nbsp;Zhenyu Lin ,&nbsp;Fengfu Fu ,&nbsp;Yongqiang Dong","doi":"10.1016/j.molliq.2025.127113","DOIUrl":"10.1016/j.molliq.2025.127113","url":null,"abstract":"<div><div>A simple method is developed for the direct synthesis of aggregated silver nanoparticles (a-AgNPs), which show strong and wavelength-tunable localized surface plasmon resonance (LSPR). Three a-AgNPs (532-a-AgNPs, 633-a-AgNPs and 787-a-AgNPs) exhibiting the maximum LSPR wavelength coinciding well with those of lasers commonly used in SERS detection (532, 633 and 785 nm) are obtained. Thus, the three a-AgNPs possess abundant plasmonic hotspots under the irradiation of corresponding laser. Moreover, the three a-AgNPs show robust stability in water, and can be developed into liquid substrates directly for SERS determination. All the three substrates (532-sub, 633-sub, and 787-sub) show excellent SERS activity to 4-mercaptobenzoic acid (4-MBA) due to the synergistic effect of strong electromagnetic enhancement (EM) and chemical enhancement (CM) effects. The obtained 787-sub is further applied for the determination of thiram in juices. The low detection limit of 10 ppb and outstanding recoveries of 91.75–109.92 % suggest substantially the reliability and practicality of the developed SERS substrates in food safety detection.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"424 ","pages":"Article 127113"},"PeriodicalIF":5.3,"publicationDate":"2025-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143388347","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
Structural insights into nanofibers formed by templated polymerization-induced self-assembly through combined SANS and AFM characterizations
IF 5.3 2区 化学
Journal of Molecular Liquids Pub Date : 2025-02-08 DOI: 10.1016/j.molliq.2025.127104
Gaëlle Mellot , Mathieu Chevereau , Laurent Bouteiller , François Stoffelbach , Marylene Vayer , Jutta Rieger , Christophe Sinturel
{"title":"Structural insights into nanofibers formed by templated polymerization-induced self-assembly through combined SANS and AFM characterizations","authors":"Gaëlle Mellot ,&nbsp;Mathieu Chevereau ,&nbsp;Laurent Bouteiller ,&nbsp;François Stoffelbach ,&nbsp;Marylene Vayer ,&nbsp;Jutta Rieger ,&nbsp;Christophe Sinturel","doi":"10.1016/j.molliq.2025.127104","DOIUrl":"10.1016/j.molliq.2025.127104","url":null,"abstract":"<div><div>This study combines Small-Angle Neutron Scattering (SANS) and Atomic Force Microscopy (AFM) to elucidate the formation and structural characteristics of poly(<em>N,N</em>-dimethyl acrylamide)-<em>block</em>-poly(2-methoxyethyl acrylate) (PDMAc-<em>b</em>-PMEA) block copolymer nanofibers prepared in water by the recently developed “Templated Polymerization-Induced Self-Assembly (PISA)” approach. The key feature of this technology is the use of a water-soluble macromolecular RAFT agent functionalized by a bisurea sticker (PDMAc-U<sub>2</sub>). During the generation of the PMEA block, through reversible addition-fragmentation chain transfer (RAFT) radical dispersion polymerization, the bisurea sticker is believed to promote the 1D assembly of the block copolymers via directional H-bonding into colloidal nanofibers. In this work, Small Angle Neutron Scattering (SANS) experiments show that anisotropic objects already form at the very early stages of polymerization, then, in the course of polymerization, their diameter increases concomitantly with the increase of the PMEA chain length. Furthermore, the SANS data reveal that the nanofibers are organized in a PMEA-core/ PDMAc-shell, which was previously hypothesized but not demonstrated. Atom Force Microscopy (AFM) supported these findings through local differences in mechanical properties and detailed visualization of the nanofibers’ internal structure. The combination of SANS and AFM results allowed us to corroborate the formation and internal structure of anisotropic particle obtained by the templated PISA approach. We believe that these nanostructured materials dispersed in aqueous solutions have potential for biomedical applications, while nanopatterning applications can be envisioned after deposition on surfaces.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"424 ","pages":"Article 127104"},"PeriodicalIF":5.3,"publicationDate":"2025-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143402981","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 improvement and influence mechanism of non-ionic surfactants on the extraction and expansion effects of CO2 on alkanes: Experimental and simulation approach
IF 5.3 2区 化学
Journal of Molecular Liquids Pub Date : 2025-02-08 DOI: 10.1016/j.molliq.2025.127114
Huan Zhang , Houjian Gong , Chunhui Zhuang , Xinyan He , Jiwei Lv , Shanglin Wu , Hai Sun , Long Xu , Mingzhe Dong
{"title":"The improvement and influence mechanism of non-ionic surfactants on the extraction and expansion effects of CO2 on alkanes: Experimental and simulation approach","authors":"Huan Zhang ,&nbsp;Houjian Gong ,&nbsp;Chunhui Zhuang ,&nbsp;Xinyan He ,&nbsp;Jiwei Lv ,&nbsp;Shanglin Wu ,&nbsp;Hai Sun ,&nbsp;Long Xu ,&nbsp;Mingzhe Dong","doi":"10.1016/j.molliq.2025.127114","DOIUrl":"10.1016/j.molliq.2025.127114","url":null,"abstract":"<div><div>The extraction and expansion effects are crucial mechanism for enhancing oil recovery (EOR) during CO<sub>2</sub> injection. It is usually hard to distinguish the extraction and expansion effects of CO<sub>2</sub> on oil because the both impacts are occurring simultaneously. In this work, the extraction and expansion effects of CO<sub>2</sub> on alkane were quantitatively distinguished and investigated. Moreover, the influence of CO<sub>2</sub>-philic surfactants on the extraction and expansion effects, and the microscopic mechanism were examined through experiments and molecular dynamics simulations. The results show that with the increase of pressure, the extraction and expansion effects of CO<sub>2</sub> on hexadecane and white oil both gradually strengthen. Compared with hexadecane, the alkane molecules with long carbon chains exhibit stronger intermolecular interaction forces, making it difficult for CO<sub>2</sub> to enter the intermolecular space of the alkanes, which reduces the solubility of CO<sub>2</sub> in alkanes, as well as the extraction and expansion effects. Among the CO<sub>2</sub>-philic surfactants, C<sub>4</sub>EO<sub>3</sub>PO<sub>6</sub> and C<sub>4</sub>PO<sub>6</sub> can effectively promote the extraction and expansion effects of CO<sub>2</sub>. Meanwhile, the surfactants added to the CO<sub>2</sub> phase can rapidly diffuse to the interface between CO<sub>2</sub> and oil, to improve the mutual dissolution of CO<sub>2</sub> and oil molecules. Surfactants can effectively promote both the dissolution of CO<sub>2</sub> into the alkane phase and the diffusion of alkanes into the CO<sub>2</sub> phase, as well as increase the dispersion force between CO<sub>2</sub> and hexadecane molecules and the diffusion coefficient of CO<sub>2</sub> in alkanes. This is the main mechanism of surfactants to enhance the extraction and expansion effects of CO<sub>2</sub>.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"424 ","pages":"Article 127114"},"PeriodicalIF":5.3,"publicationDate":"2025-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143422322","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
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