Journal of Molecular Liquids最新文献

{"title":"Preparation and performance evaluation of viscoelastic zwitterionic surfactant for cleaning fracturing fluids","authors":"Shengming Huang ,&nbsp;Guancheng Jiang ,&nbsp;Quande Wang ,&nbsp;Lixin Zhu ,&nbsp;Jun Yang ,&nbsp;Chunping Guo ,&nbsp;Tengfei Dong ,&nbsp;Yinbo He ,&nbsp;Lili Yang","doi":"10.1016/j.molliq.2024.126495","DOIUrl":"10.1016/j.molliq.2024.126495","url":null,"abstract":"<div><div>In response to the limitations of traditional guar gum fracturing fluids, characterized by inadequate proppant carrying capacity and substantial reservoir damage, we have synthesized a zwitterionic surfactant EAPHS using ethyl acid (EA), N,N-dimethyl-1,3-propanediamine (DMAPA), and 3-chloro-2-hydroxypropyl sulfonic acid sodium salt. Through the optimization of the NaSal counterion salt ratio, we developed a viscoelastic surfactant (VES) clean fracturing fluid system, with the optimal formulation identified as 4.0 % EAPHS + 3.0 % NaSal. The research results indicate that the critical micelle concentration (CMC) of the EAPHS surfactant is 8.3 × 10⁻⁴ mol/L, with the surface tension <span><math><msub><mi>γ</mi><mrow><mi>CMC</mi></mrow></msub></math></span> is 38.5 mN/m. The observation results from cryogenic transmission electron microscopy (Cryo-TEM) indicate the formation of worm-like micelles in the VES clean fracturing fluid system, facilitating viscosity enhancement and sand-carrying. The viscosity of the VES clean fracturing fluid system remains stable at 34 mPa·s after undergoing continuous shearing at 120 °C and 170 s⁻¹ for 60 min. Furthermore, this system exhibits favorable rheological properties and sand-carrying capabilities. The drag reduction efficiency of the VES clean fracturing fluid system exceeds 60 %, demonstrating excellent micelle-breaking performance. Moreover, the damage rate to the permeability of natural cores caused by the breaking fluid is only 7.34 %. This indicates the low-damage characteristics of the VES clean fracturing fluid system, effectively reducing secondary damage to reservoirs after fracturing. It provides valuable reference and guidance for the further application of VES clean fracturing fluid systems in oilfield operations.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"416 ","pages":"Article 126495"},"PeriodicalIF":5.3,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142655159","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}

{"title":"Alkyl sucrose esters vs. Brijs: How chain length and temperature impact surface and foam properties","authors":"L. Delforce,&nbsp;S. Tcholakova","doi":"10.1016/j.molliq.2024.126491","DOIUrl":"10.1016/j.molliq.2024.126491","url":null,"abstract":"<div><div>The primary objective of this study is to determine the similarities and differences in the surface, film, and foam properties of alkyl sucrose esters (SEs) with high monoester content (≥<!--> <!-->70 %) and polyoxyethylene alkyl ethers (Brijs) with a high number of ethoxy groups (≥<!--> <!-->20) in their head group. Experiments were conducted using surfactant molecules with alkyl chain lengths of 12, 16, and 18 carbon atoms at concentrations between 0.01 and 1 wt%, within a temperature range of 25 °C to 60 °C.</div><div>The lag time for surfactant adsorption increased with surfactant chain length, decreased with temperature, and significantly decreased with surfactant concentration for both types of studied surfactants. However, increasing the chain length from 12 to 18 carbon atoms led to a 10-fold increase in lag time for Brijs and more than a 600-fold increase for SEs. This effect rendered longer-chain SEs incapable of forming voluminous foam in Bartsch test and led to pronounced coalescence between the bubbles after their separation from the sparger in the foam rise method, resulting in foams with very large bubbles, which exhibited lower stability. The utilization of a Kenwood mixer for foam generation provided sufficient time for longer-chain SE molecules to adsorb on the bubble surfaces and to produce voluminous foams with small bubbles, which remained stable even at 60 °C. In contrast, foams generated from Brijs solutions are very unstable at 60 °C. The long-standing stability of SEs foam was attributed to the formation of mixed mono- and diesters adsorption layers on the bubble surfaces.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"416 ","pages":"Article 126491"},"PeriodicalIF":5.3,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142706541","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}

{"title":"Advances in deep eutectic Solvent-Based synthesis of nanomaterials for environmental remediation","authors":"Priyanka A. Shah ,&nbsp;Vishwajit Chavda ,&nbsp;Darshna Hirpara ,&nbsp;Rushikesh Pokar ,&nbsp;Sanjeev Kumar ,&nbsp;Pranav S. Shrivastav","doi":"10.1016/j.molliq.2024.126482","DOIUrl":"10.1016/j.molliq.2024.126482","url":null,"abstract":"<div><div>The application of eco-friendly deep eutectic solvents (DES) in the functionalization and synthesis of adsorbent materials has gained significant research interest in recent times. These materials, employed for treating polluted water primarily through degradation or adsorption, are emerging as sustainable alternatives to traditional technologies. However, the information regarding the functionalization and synthesis of adsorbent materials using DES is dispersed throughout the literature. This review aims to consolidate and clarify the extensive information available on the synthesis and functionalization of DES-based adsorbents, their application in water treatment as nanomaterials, and the future prospects of such technologies. DES presents an ideal alternative to conventional solvents for modifying and functionalizing adsorbents due to their lower toxicity, cost-effectiveness, and environmental friendliness. Most DESs effectively introduce desired functionalities and enhance the surface area of adsorbents, thereby greatly enhancing the removal of pollutants. This review compiles recent literature on the synthesis and modification of graphene oxides, carbon nanotubes, metal oxides, and other materials for the degradation/adsorption of pharmaceuticals, herbicides, dyes, pesticides, heavy metal ions, and other water contaminants. Besides this, DES-based nanomaterials have potential future applications in nanotechnology, nanofluids, nanocatalysts, biosensors, environmental remediation, among others. The anticipated exponential growth in these areas underscores the urgent need for such a review.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"416 ","pages":"Article 126482"},"PeriodicalIF":5.3,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142655150","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}

{"title":"Assessing [DMAP-DABCO]AcO as an effective dual basic ionic liquid for the synthesis of chromeno[2,3-d]pyrimidine derivatives and exploring their anti-cancer activity through computational analysis","authors":"Pravin Kharade ,&nbsp;Dipak Gaikwad ,&nbsp;Sanket Rathod ,&nbsp;Uttam Chougale ,&nbsp;Satish Kadam ,&nbsp;Kiran Patil ,&nbsp;Prafulla Choudhari ,&nbsp;Savita Desai","doi":"10.1016/j.molliq.2024.126484","DOIUrl":"10.1016/j.molliq.2024.126484","url":null,"abstract":"<div><div>Here, we report the synthesis of a new dual basic ionic liquid viz. 1-[3-(dimethylamino)propyl]-1,4-diazabicyclo[2.2.2]octan-1-ium acetate [DMAP-DABCO]AcO, and its use as a catalyst for the synthesis of chromeno[2,3-<em>d</em>]pyrimidine derivatives through multi-component reaction approach involving salicylaldehyde derivatives, secondary amines and malononitrile. The ionic liquid and the chromeno[2,3-<em>d</em>]pyrimidine derivatives were characterized using FT-IR, ¹H and ¹³C NMR, and Mass spectrometry techniques. The synthesized derivatives were evaluated for their <em>in vitro</em> anti-cancer activity against the MCF7 cell line. The compound <strong>4a</strong> showed the highest anti-cancer activity with an IC₅₀ value of <strong>65.25 µg/mL</strong> compared with the standard drug 5-FU. The anti-cancer activity of synthesized derivatives was additionally validated through computational studies, including molecular docking, density functional study (DFT), and absorption, distribution, metabolism, excretion, and (toxicity) ADME(T) analysis.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"416 ","pages":"Article 126484"},"PeriodicalIF":5.3,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142655098","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}

{"title":"One-step condensation synthesis of di-tertiary ammonium salt protic ionic liquid for efficiently catalytic CO2 cycloaddition reaction under cocatalyst- and solvent-free conditions","authors":"Yuchen Hu ,&nbsp;Ziyu Gao ,&nbsp;Huidong Wang ,&nbsp;Li Yang ,&nbsp;Jiaxu Zhang ,&nbsp;Jianmin Sun","doi":"10.1016/j.molliq.2024.126423","DOIUrl":"10.1016/j.molliq.2024.126423","url":null,"abstract":"<div><div>A novel protic ionic liquid di-tertiary ammonium bromide ionic liquid (DTAB-IL) was synthesized by one-step condensation at 0 ℃ with 85 % yield. DTAB-IL also exhibited effective catalytic activity for CO₂ cycloaddition without cocatalyst and solvent. The catalytic reaction conditions were optimized to 90 ℃, 4 h, 1 MPa, and the yield of propylene carbonate was obtained 96 % with high selectivity 99 %. Under the optimal conditions, DTAB-IL catalyst exhibited good recyclability and universality to various epoxides. Furthermore, temperature influence and kinetic investigation for propylene carbonate synthesis were studied. The activation energy for DTAB-IL catalyzing CO₂ cycloaddition reaction was 43.93 kJ/mol, and the reaction was found to follow first-order for propylene oxide. Efficient cycloaddition reaction of CO₂ and epoxide was attributed to the activation of epoxide and CO₂ by di-tertiary ammonium and epoxide ring-opening by bromide anion in DTAB-IL.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"416 ","pages":"Article 126423"},"PeriodicalIF":5.3,"publicationDate":"2024-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652599","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}

{"title":"Development of a liquid crystal-based sensor utilizing EDTA-cyclodextrin polymer for real-time optical detection of methylene blue in natural water samples","authors":"Madeeha Rashid ,&nbsp;Satyabratt Pandey ,&nbsp;Aradhana Chaudhary ,&nbsp;Vishal Singh ,&nbsp;Garima Singh ,&nbsp;Rohit Verma ,&nbsp;Krishna Kumar ,&nbsp;Sachin Kumar Singh","doi":"10.1016/j.molliq.2024.126479","DOIUrl":"10.1016/j.molliq.2024.126479","url":null,"abstract":"<div><div>The discharge of dyes in industrial wastewater poses significant environmental and health risks when released into natural water resources. In this study, we report the development of an EDTA-crosslinked cyclodextrin polymer (ECDP)-based sensor for the real-time, naked-eye detection of hazardous methylene blue (MB) dye in aqueous solutions and natural water samples. The sensor functions via a competitive host–guest inclusion mechanism involving sodium dodecyl sulphate (SDS) and ECDP, which modulates the alignment of liquid crystals (LCs). Initially, SDS induces homeotropic ordering at the fluid interface, but when complexed with ECDP, it causes a tilted LC alignment. Upon the introduction of MB, SDS is displaced from the ECDP cavity and re-adsorbs at the LC/aqueous interface, triggering an orientational transition from tilted to homeotropic. This transition is clearly observed as a distinct bright-to-dark shift under crossed polarizers. The host–guest (ECDP/MB) inclusion complexation mechanism was further confirmed by FT-IR, XRPD, and DSC analyses. The developed sensor exhibits high selectivity for MB in dye-contaminated natural water samples and sensitivity to MB concentrations upto 0.10 mM. This study demonstrates the potential of cyclodextrin-based polymers for liquid crystal sensing applications, offering promising pathways for future developments in environmental monitoring.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"416 ","pages":"Article 126479"},"PeriodicalIF":5.3,"publicationDate":"2024-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142655189","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}

{"title":"Reinvestigation of the mechanism of the enamine-mediated dioxygen activation","authors":"Mihály Purgel ,&nbsp;A. Jalila Simaan ,&nbsp;Yongxing Wang ,&nbsp;Marius Réglier ,&nbsp;Michel Giorgi ,&nbsp;József Kaizer","doi":"10.1016/j.molliq.2024.126465","DOIUrl":"10.1016/j.molliq.2024.126465","url":null,"abstract":"<div><div>The reaction of cyclohexylidene-2-carbamylcyclohex-1-enylamines with molecular oxygen does not undergo a [4+2] cycloaddition reactions but leads mainly to a dimer via single electron transfer (SET) from the enamine to ³O₂, proton transfer (PT) and consecutive radical C–C coupling, an addition to the formation of hydroperoxide byproduct.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"416 ","pages":"Article 126465"},"PeriodicalIF":5.3,"publicationDate":"2024-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142655151","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}

{"title":"Local structure and mobility in melts of ionic liquids-selected primary and secondary alcohols","authors":"N.O. Atamas,&nbsp;K.S. Yablochkova,&nbsp;V.Yu. Malyshev,&nbsp;I.P. Matushko,&nbsp;M.M. Lazarenko","doi":"10.1016/j.molliq.2024.126481","DOIUrl":"10.1016/j.molliq.2024.126481","url":null,"abstract":"<div><div>We present the results of a systematic study of the influence of isomerism of selected primary and secondary alcohols on their processes of solvation in dimethylimidazolium (dmim⁺) chloride ionic liquids. The properties of this system are investigated near the melting temperature by means of the molecular dynamics method. The study of single particle tracking (SPT) trajectories plays a significant role in the present analysis of the features of the microscopic movement of molecules of the dissolved substance in the solution. We demonstrate that the isomerism of alcohol molecules in case of isobutanol and isopentanol leads to the increase of their self-diffusion coefficients due to the growth of the IL’s local structure near the solute as we move from the alcohol to its isomer. The motion of butanol/isobutanol and pentanol/isopentanol alcohols molecules in this process is determined both by the mass, and the hydrophobic properties of the solute. Conversely, we demonstrate that the motion of systems with propanol/isopropanol are determined by the structure of the solute.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"416 ","pages":"Article 126481"},"PeriodicalIF":5.3,"publicationDate":"2024-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142655252","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}

{"title":"Harnessing durable antimicrobial cellulose cotton fabric coated with silver nanoparticles via a green approach for photocatalytic applications","authors":"Chandra Sekhar Espenti ,&nbsp;T.V. Surendra ,&nbsp;K.S.V. Krishna Rao ,&nbsp;Mushtaq Ahmad Ansari ,&nbsp;Kummara Madhusudana Rao ,&nbsp;Sung Soo Han","doi":"10.1016/j.molliq.2024.126483","DOIUrl":"10.1016/j.molliq.2024.126483","url":null,"abstract":"<div><div>Growing concern regarding microbial infections has prompted significant research into antimicrobial textiles. This study presents a green, eco-friendly approach to imparting antimicrobial properties to cellulose cotton fabric (CCF) by depositing silver nanoparticles (AgNPs) synthesized using <em>Bryophyllum pinnatum</em> (BP) leaf extract as a natural reducing agent. To improve the durability of AgNPs on CCF, an environmentally friendly method was used to synthesize AgNPs, which were subsequently applied to biocompatible CCF using BP leaf extract as a natural reducing agent. Owing to the presence of phytochemicals, the AgNPs were rapidly produced with a uniform size and shape under ambient conditions. The synthesized nanoparticles were characterized using techniques such as ultraviolet–visible spectroscopy, Fourier-transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM) coupled with energy dispersive X-ray (EDX) spectrophotometry, and X-ray diffraction (XRD) analysis to confirm their size (average size 60.4 ± 8.5 nm), morphology, and crystalline structure. Subsequently, the CCF was coated with these AgNPs using an eco-friendly deposition method. The mechanical properties of the treated fabric were assessed to ensure that the coating process did not compromise the fabric’s integrity or safety for human use. The results indicated that the CCF–BP–AgNPs retained its mechanical strength and exhibited no cytotoxic effects, regarding it suitable for various applications in healthcare, apparel, and household textiles. The antibacterial activity of the CCF–BP–AgNPs was evaluated by measuring zone inhibition against <em>Escherichia coli</em>, <em>Bacillus subtilis</em>, and <em>Staphylococcus aureus</em>. The photocatalytic activity of the coated cloth was assessed by observing the breakdown of organic dye Congo Red (CR) in simulated sunlight. Interestingly, the CCF–BP–AgNPs demonstrated effective photocatalytic degradation of CR, revealing its potential for wastewater treatment and environmental remediation applications. The fabric’s antimicrobial properties remained intact throughout the photocatalytic process, enabling disinfection and pollutant breakdown to occur simultaneously.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"416 ","pages":"Article 126483"},"PeriodicalIF":5.3,"publicationDate":"2024-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142655097","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}

{"title":"Comprehensive models to estimate the Isobaric heat capacity of deep eutectic solvents based on Machine learning algorithms","authors":"Mohammad Amin Moradkhani ,&nbsp;Seyyed Hossein Hosseini","doi":"10.1016/j.molliq.2024.126475","DOIUrl":"10.1016/j.molliq.2024.126475","url":null,"abstract":"<div><div>Deep eutectic solvents (DESs) have recently gained significant attention due to their sustainable and environmentally friendly properties. Acquiring exact knowledge regarding the isobaric heat capacity (<em>C_p</em>) of DESs is essential for energy-related processes, in which these green solvents are utilized. Hence, this study deals with the development of comprehensive models for estimating the <em>C_p</em> of DESs. To reach this target, 682 experimental data, encompassing the <em>C_p</em> of 36 different DESs over widespread ranges of pressure and temperature, were assembled from the literature. The foregoing data were employed to establish new models based on four machine learning techniques, including Gaussian process method (GPM), Adaptive neuro-fuzzy inference system (ANFIS), Radial basis function neural network (RBF-NN) and Multilayer perceptron neural network (MLP-NN). The evaluations performed based on the statistical indices and graphical tools demonstrated that although all suggested models present excellent estimations, that designed based on the MLP-NN method yields the highest accuracy with Mean absolute percentage error (MAPE) and coefficient of determination (<em>R²</em>) values being 0.4% and 99.93, respectively, for the validation data. A comparison between the results of the literature correlations and those of novel models confirmed the obvious superiority of the latter. Moreover, the proposed models properly described the <em>C_p</em> variations of different DESs versus pressure and temperature. The order of importance of various factors in controlling the <em>C_p</em> of DESs was also determined based on the sensitivity analysis. Eventually, the intelligent models showed excellent performance in estimating the <em>C_p</em> of unseen DESs.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"416 ","pages":"Article 126475"},"PeriodicalIF":5.3,"publicationDate":"2024-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142655219","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}