Xiayu Zheng, Shuangjia Li, Yuhua Wang, Dongfang Lu
{"title":"Investigation of binary salt fluids with higher volume susceptibility for high gradient magnetic separation coupling with magnetic fluid","authors":"Xiayu Zheng, Shuangjia Li, Yuhua Wang, Dongfang Lu","doi":"10.1016/j.molliq.2025.128702","DOIUrl":"10.1016/j.molliq.2025.128702","url":null,"abstract":"<div><div>High-gradient magnetic separation coupling with magnetic fluid (HGMSCMF) employs paramagnetic fluids to decrease competing capture of magnetic gangue minerals, significantly improving selectivity and separation efficiency in recovering weakly magnetic minerals. Fluid volume susceptibility is the most important parameter in HGMSCMF. However, being limited by volume susceptibility of unary salt solutions, HGMSCMF is somewhat deficient in obtaining high-quality concentrate in processing refractory weakly magnetic minerals such as ilmenite ore in Panxi area of China. In this study, binary salt solutions (mainly ferric and manganese salts) with higher volume susceptibility were regulated and the performance in HGMSCMF was examined. Volume susceptibility of paramagnetic salt solutions is determined by the molar specific susceptibility and molarity of paramagnetic ions. Binary solutions of MnCl<sub>2</sub>-Fe(NO<sub>3</sub>)<sub>3</sub> and FeCl<sub>3</sub>-Mn(NO<sub>3</sub>)<sub>2</sub> can exhibit high volume susceptibility up to 1240 × 10<sup>−6</sup>, which is much higher than that of 40 % MnCl<sub>2</sub> solution. Particle capture and ore separation performance of binary salt solutions were investigated. Binary salt solutions present lower captured mass of augite particles (gangue mineral) in particle capture tests, along with higher TiO<sub>2</sub> grade of magnetic products and good adaptability to pulsating flow in actual ore separation. Ilmenite concentrate assaying 47.25 % TiO<sub>2</sub> are obtained (at TiO<sub>2</sub> recovery of 42.91 %) with binary solution of 25 % FeCl<sub>3</sub>–38 % Mn(NO<sub>3</sub>)<sub>2</sub> through one roughing and four cleanings. Results of numerical simulation of particle capture is in good agreement with those of experiments. Binary salt solutions present higher volume susceptibility and good application potential in the processing of refractory weakly magnetic minerals.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"438 ","pages":"Article 128702"},"PeriodicalIF":5.2,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145264196","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":"Enhanced stability nanofluids for sustainable high-voltage transformer applications","authors":"Samson Okikiola Oparanti , Issouf Fofana , Reza Jafari , Youssouf Brahami , Kouba Marie Lucia Yapi","doi":"10.1016/j.molliq.2025.128692","DOIUrl":"10.1016/j.molliq.2025.128692","url":null,"abstract":"<div><div>The demand for sustainable alternatives to fossil-based insulating liquids in power transformers has intensified due to environmental concerns associated with mineral oils. Natural esters, such as canola oil, are renewable and biodegradable insulating liquids, but their adoption remains limited due to poor thermo-oxidative stability, ionization resistance, and standardization. To address these limitations, this study presents the development and characterization of a canola-based nanofluid enhanced with TiO<sub>2</sub> nanoparticles to improve its suitability for transformer insulation. TiO<sub>2</sub> nanoparticles with an average size of 5 nm were dispersed into canola oil using two surfactants, Polysorbate 80 and Span 80, at concentrations ranging from 2 g/L to 8 g/L. The novelty of this work lies in the use of ultra-fine (5 nm) TiO<sub>2</sub> nanoparticles combined with a comparative optimization of surfactant type and concentration to achieve long-term colloidal stability and improved dielectric performance, an approach previously unreported in this context. Nanofluid stability was assessed via turbidity measurements and visual inspection, with Span 80 demonstrating superior long-term stabilization. Results show that nanoparticles and surfactant addition slightly increased the density and viscosity of the base oil but remained within acceptable limits for transformer applications. Dielectric analysis revealed a reduction in dissipation factor with the addition of nanoparticles, with optimum performance at 0.2 wt% of nanoparticles and 2 g/L of surfactant. Furthermore, the AC breakdown voltage improved by 27.01 % at an optimal formulation of 0.2 wt% TiO<sub>2</sub> and 2 g/L Span 80. The developed nanofluid demonstrates strong potential as a sustainable and high-performance alternative to mineral oil for next-generation transformer applications.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"438 ","pages":"Article 128692"},"PeriodicalIF":5.2,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145264195","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}
Hozaifa N. Mohammed , Qingchun Yuan , Daniel J. Nowakowski
{"title":"Characterisation and application of charcoal-based nanofluids in enhanced oil recovery (EOR)","authors":"Hozaifa N. Mohammed , Qingchun Yuan , Daniel J. Nowakowski","doi":"10.1016/j.molliq.2025.128690","DOIUrl":"10.1016/j.molliq.2025.128690","url":null,"abstract":"<div><div>This study investigates charcoal-based nanofluids for enhanced oil recovery (EOR), as a new route of carbon capture, utilisation and sequestration, contributing to alleviating global warming. Previous studies have shown that the microporous structure of nanoparticles enhance the viscosity of a base fluid better than the counterpart of non-porous ones. A pinewood char with a specific surface area of 107 m<sup>2</sup>/g was selected to examine its viscosity enhancement in aqueous suspension and its EOR performance. Pinewood char nanofluids at a nanoparticle size of approximately 155 nm demonstrated a linear viscosity enhancement with charcoal concentration in the range suitable as flooding fluid. Sectional enhanced nanofluid flooding (0.2 pore volume of the core) into sand-packed cores demonstrated that a 0.125 wt% pinewood char nanofluid (viscosity 2.3 mPa∙s) achieved 51.4 % recovery of the residue oil in place. The nanofluids demonstrated excellent stability under ambient conditions. These findings highlight the feasibility of using charcoal-based nanofluids as a low-cost, renewable and carbon-negative EOR flooding fluids, offering a possible pathway towards more responsible hydrocarbon production that balances technical performance and environmental impact.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"438 ","pages":"Article 128690"},"PeriodicalIF":5.2,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145264197","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}
R.A. Bustamante-Rendón , E. Pérez , A. Gama Goicochea
{"title":"Desorption of hydrocarbon molecules encapsulated with cationic and nonionic surfactants under flow as a model for enhanced oil recovery","authors":"R.A. Bustamante-Rendón , E. Pérez , A. Gama Goicochea","doi":"10.1016/j.molliq.2025.128627","DOIUrl":"10.1016/j.molliq.2025.128627","url":null,"abstract":"<div><div>Enhancing oil recovery from mature reservoirs remains a critical challenge due to strong adsorption of hydrocarbons onto rock surfaces. Surfactant injection offers a viable strategy to desorb oil molecules from surfaces. Here we report nonequilibrium, mesoscale numerical simulations under stationary Poiseuille flow to investigate the desorption of adsorbed hydrocarbons from model surfaces with varying adsorption strengths with ionic and nonionic surfactants. A novel, molecularly detailed model for oil is introduced, made up of light and heavy hydrocarbon molecules. The desorption efficacy of ionic and nonionic surfactants is evaluated across different concentrations. The viscosity is extracted from simulations and it is found that the nonionic surfactant induces higher viscosity in the system than the cationic surfactant. The results show that ionic surfactants achieve superior desorption by forming multilayer structures that encapsulate hydrocarbons into spherical aggregates, leading to lower contact area, lower viscosity and enhanced extraction, even at low concentrations. In contrast, nonionic surfactants form monolayers that fragment hydrocarbons into smaller aggregates, increasing system viscosity and hindering extraction. Desorption isotherms as functions of surfactant concentration are predicted for both surfactant types. These findings provide molecular insights to guide surfactant design and selection for enhanced oil recovery applications.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"438 ","pages":"Article 128627"},"PeriodicalIF":5.2,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145242243","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}
Derong Xu , Chenxi Wen , Liqing Wang , Wanxin Jiang , Wanli Kang
{"title":"Mechanisms of SiO₂ nanoparticles cooperating with surfactants to stabilize emulsions: insights from interfacial rheological properties","authors":"Derong Xu , Chenxi Wen , Liqing Wang , Wanxin Jiang , Wanli Kang","doi":"10.1016/j.molliq.2025.128686","DOIUrl":"10.1016/j.molliq.2025.128686","url":null,"abstract":"<div><div>One of the key mechanisms in surfactant flooding is the emulsification of crude oil; however, emulsions formed by conventional surfactant solutions are often unstable. Incorporating nanoparticles into surfactant solutions has emerged as an effective strategy to enhance emulsion stability. Despite this, the mechanisms by which SiO₂ nanoparticles cooperate with surfactants to stabilize emulsions remain largely at the stage of macroscopic experiments and theoretical hypotheses.</div><div>In this study, we investigate the mechanisms of emulsion stabilization by SiO₂ nanoparticles in combination with surfactants, focusing on interfacial rheological properties using a spinning drop interfacial expansion rheometer. First, frequency sweep and dynamic interfacial rheology tests were conducted. Then, the effects of surfactant and nanoparticle concentrations on interfacial rheological properties were examined. Finally, macroscopic emulsification tests and microscopic observations of emulsions were performed to analyze and elucidate the stabilization mechanisms.</div><div>The frequency sweep results showed a near-linear relationship between interfacial viscoelasticity and frequency in the range of 0.01–0.1 Hz. Dynamic rheological measurements revealed that the interfacial elastic modulus (E') and viscous modulus (E\") increased sharply over time and gradually reached dynamic equilibrium. Simultaneously, oil–water interfacial tension (IFT) decreased and then stabilized, with E', E\", and IFT all reaching equilibrium at approximately the same time.</div><div>With increasing surfactant concentration, E', E\", and IFT initially decreased and then plateaued. Nanoparticles alone did not reduce oil–water IFT, but when 0.02 wt% SiO<sub>2</sub> nanoparticles was added to a 0.05 wt% AES surfactant solution, a slight reduction in IFT and a significant increase in E' were observed. Macroscopic emulsification tests showed that emulsion stability first increased and then decreased with rising nanoparticle concentration, with optimal stability observed in the 0.02 wt% SiO₂ + 0.05 wt% AES system. Microscopic images confirmed that this system produced smaller emulsion droplets with greater resistance to coalescence.</div><div>The combined results of IFT reduction and enhanced interfacial film strength, supported by microscopic observations and rheological data, provide insight into the stabilization mechanisms. This study offers a theoretical basis for the application of nanoparticle/surfactant composite systems in enhancing oil recovery from complex reservoirs.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"438 ","pages":"Article 128686"},"PeriodicalIF":5.2,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145242192","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":"Exploring the intrinsic role of anions on Eu(III) coordination with aliquat based ionic liquids by luminescence spectroscopy","authors":"Alok Rout , Satendra Kumar , Nagarajan Ramanathan","doi":"10.1016/j.molliq.2025.128605","DOIUrl":"10.1016/j.molliq.2025.128605","url":null,"abstract":"<div><div>Ionic Liquid (IL) anion plays a vital role in the metal ion coordination process. In this report, two well-known IL extractants: methyltrioctylammonium nitrate ([N<sub>1888</sub>][NO<sub>3</sub>]) and methyltrioctylammonium thiocyanate ([N<sub>1888</sub>][SCN]) were used to understand Eu(III) coordination through fluorescence spectroscopy in diverse experimental conditions. The main agenda of the investigation was to realize the role of NO<sub>3</sub><sup>−</sup> and SCN<sup>−</sup> ion both in feed and extracting phase during the solvent extraction process and the fundamental differences in Eu(III) coordination process in these ILs were analyzed based on the extraction and fluorescence results. Eu(III) emission in IL phase was remarkably higher at a high nitrate ion source (used as the salting-out agent) in the feed phase as compared to that without the presence of salting-out agent. The insignificant emission patterns observed in [N<sub>1888</sub>][SCN] as compared to that in [N<sub>1888</sub>][NO<sub>3</sub>] were explored based on the quenching and coordination ability of SCN<sup>−</sup> ion. The derived fluorescence parameters in the bi-phases were evaluated to realize the effectiveness and nature of Eu(III)---IL complex formation. The impact of IL cation and the nature of the feed aqueous phase on the excitation patterns of Eu(III) was also ascertained and reported in the paper.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"438 ","pages":"Article 128605"},"PeriodicalIF":5.2,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145264834","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":"Influence of dispersants, surfactants, and stabilizers on formulation and rheology of coal water slurries from Indian high ash coal","authors":"Anurag Kumar Shastri, Suresh Kumar Yatirajula","doi":"10.1016/j.molliq.2025.128660","DOIUrl":"10.1016/j.molliq.2025.128660","url":null,"abstract":"<div><div>Indian coals typically contain high ash. Using raw coal poses transportation, and efficient burning problems; their slurry form may offer a viable solution for it. CWS, a non-Newtonian fluid, requires additives for achieving desired stability and rheological properties. In this study, base 52 wt% CWS, and six additive-modified 52 wt% coal slurry samples prepared to identify better additives. Coal powder of 53–74 μm particle size range (SJR2) used to prepare seven slurries. Additives include dispersants [Poly (styrene sulfonic acid) sodium salt (PSS); Sodium lignin sulfonate (SLS)], surfactants [Sodium dodecyl sulfate (SDS); Cetyltrimethylammonium bromide (CTAB)], and stabilizers [Xanthan gum (XG); Guar gum (GG)]. A simple CWS prepared by mixing coal powder in distilled water at 600 rpm for one hour, then kept standstill for 12 h at room temperature. Similarly, six more 52 wt% coal slurries prepared by firstly making six additive solutions then mixing coal powder (SJR2), separately, to these solutions. As per requirement; individual as well as comparative characterizations, and rheological tests done for raw coal and all prepared slurries (dried and wet) to ascertain their physical, chemical properties along with structural formation and rheological behavior. Changes occurred in apparent viscosity, and shear stress of prepared slurries studied at 30 °C, at varying shear rate of 1–1000 s<sup>−1</sup>. Herschel–Bulkley rheological model was used to validate experimental data. Characterization, and rheological results showed that PSS sol<sup>n</sup>. (1 %), SDS sol<sup>n</sup>. (1 %), and XG sol<sup>n</sup>. (0.1 %) were found better for the respective desired purposes.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"438 ","pages":"Article 128660"},"PeriodicalIF":5.2,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145264833","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}
Jaeyoung Kim , Seyong Choi , Kiduk Kim , Sungwook Chung , Joonkyung Jang
{"title":"Molecular dynamics underlying the regulation of a gas hydrate by amylose","authors":"Jaeyoung Kim , Seyong Choi , Kiduk Kim , Sungwook Chung , Joonkyung Jang","doi":"10.1016/j.molliq.2025.128687","DOIUrl":"10.1016/j.molliq.2025.128687","url":null,"abstract":"<div><div>When mixed with a gas under a high pressure, a liquid water forms crystalline cavities that can host gas molecules. The resulting gas hydrate can be an important energy resource but also causes a blockage of a pipeline in the ocean. Given regulation of a gas hydrate is often desired, starch has been considered as a biodegradable inhibitor of a gas hydrate. Currently, the molecular mechanism behind the regulation is not fully understood. By using all-atom molecular dynamics simulation, we examine whether and how an amylose (main component of starch) additive regulates a methane hydrate at the molecule level. For comparison, a 2,3,6-<em>O</em>-methyl-amylose (OMet-amylose) additive, which is bulkier but has fewer hydroxyl groups, was also investigated. The amylose additive regulates a methane hydrate through two mechanisms: steric hindrance and hydrogen bonding interaction with a seed of hydrate. The hydroxyl groups of the amylose make ring structures which hamper the formation of a hydrate cage. The OMet-amylose however does not form such a ring structure, giving a weaker inhibition than the amylose. The present molecular insights offer guidelines for designing biodegradable additives based on natural starch.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"437 ","pages":"Article 128687"},"PeriodicalIF":5.2,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145262400","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}
Haoyu Ma , Jiawei Li , Qi Yin , Youguo Yan , Zhen Li , Jun Zhang , Zhehui Jin
{"title":"Decoding the biphasic effect of polyacrylamide hydrolysis on solution viscosity","authors":"Haoyu Ma , Jiawei Li , Qi Yin , Youguo Yan , Zhen Li , Jun Zhang , Zhehui Jin","doi":"10.1016/j.molliq.2025.128667","DOIUrl":"10.1016/j.molliq.2025.128667","url":null,"abstract":"<div><div>Polyacrylamide is widely used in industrial applications such as enhanced oil recovery and water treatment due to its excellent ability to regulate the rheological properties of solutions. However, during these applications, progressive hydrolysis alters the molecular structure of polyacrylamide, leading to a unique biphasic change in viscosity that remains poorly understood. In this study, density functional theory calculations and molecular dynamics simulations were systematically conducted to elucidate the molecular mechanism of polyacrylamide hydrolysis and clarify the origin of its biphasic viscosity response at molecular level. The density functional theory calculations and molecular dynamics simulation results reveal that initial hydrolysis enhances structural viscosity by promoting polymer aggregation, whereas further hydrolysis leads to polymer chain dispersion, resulting in a decrease in structural viscosity and an increase in frictional viscosity. At high hydrolysis levels, chain recoiling driven by salt ion interactions reduces both structural and frictional viscosities. This study not only elucidates the fundamental mechanisms governing polyacrylamide hydrolysis and its biphasic effects on viscosity but also provides valuable insights for designing polymers with optimized rheological properties to meet the demands of diverse industrial applications.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"438 ","pages":"Article 128667"},"PeriodicalIF":5.2,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145264832","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}
A. Abdurrahman , S.M. Shuwa , F.N. Dabai , T. Oyegoke , A.I. Igbafe , O.D. Orodu , B.Y. Jibril
{"title":"Elucidating recovery and mechanism of deep eutectic solvents for heavy crude oil via experimental and computational analysis","authors":"A. Abdurrahman , S.M. Shuwa , F.N. Dabai , T. Oyegoke , A.I. Igbafe , O.D. Orodu , B.Y. Jibril","doi":"10.1016/j.molliq.2025.128641","DOIUrl":"10.1016/j.molliq.2025.128641","url":null,"abstract":"<div><div>The quest for green solvents for enhanced oil recovery resulted in the use of Deep Eutectic Solvents (DESs), which can work effectively in a range of reservoir conditions. The most often reported DESs evaluated for enhanced oil recovery to date are those based on choline chloride. Nevertheless, it has been found that these DESs often come with challenges like inability to sufficiently reduce the interfacial tension of heavy crude oil reservoir. Therefore, in this study, tetrabutylammonium bromide, (TBAB) with polyethylene glycol 400 (PEG 400), TBAB/dimethyl sulfoxide (DMSO) and TBAB/<em>N</em>, <em>N</em>-dimethyl formamid (DMF) were explored to synthesize DES-1, DES-2 and DES-3 respectively. The DESs were used to investigate the reduction of interfacial tension (IFT) between the DES/water mixture and heavy crude oil, as well as formation damage, imbibition and core flooding results. From the IFT reduction findings, DES-1, DES-2 and DES-3 reduced the IFT by 67.4 %, 85.7 % and 83.3 % by respectively. From the core flooding result, a total displacement efficiency of 76.92 %, 98.39 % and 89.79 % were obtained using DES-1, DES-2 and DES-3 respectively. Afterward, quantum mechanics calculations using PM3, semi-empirical were performed in the Spartan molecular modeling package to augment the experimental analysis and also gain more insight on the mechanisms underlying the interactions between the DES and oil, brine and oil, DES and the rock matrix, as well as between the oil and the rock matrix. The findings revealed that for DES-1, wettability alteration and low mobility ratio are the most vital mechanism for its oil recovery. DES-2 essentially employed IFT reduction combined with mobility control to recover oil. While emulsification, sweep efficiency and wettability alteration contributed significantly to DES-3 for Enhanced Oil Recovery (EOR). In contrast, choline chloride-based DES increased IFT from 6.4 to 11.4 mN/m and up to 21.9 mN/m in heavy crude oils. This attests to the improved efficacy of TBAB-based DESs in lowering IFT and water cut in heavy oil reservoirs, which increases oil recovery.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"437 ","pages":"Article 128641"},"PeriodicalIF":5.2,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145262315","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}