Journal of Molecular Liquids最新文献

{"title":"Two-Dimensional Lattice-Gas model for methane clathrate Hydrates: Comparative analysis with experiments and Three-Dimensional simulations","authors":"Julián Juan ,&nbsp;María E. Pronsato ,&nbsp;Antonio J. Ramirez-Pastor ,&nbsp;Pablo Longone","doi":"10.1016/j.molliq.2025.127669","DOIUrl":"10.1016/j.molliq.2025.127669","url":null,"abstract":"<div><div>Methane clathrate hydrates, particularly those with an sI structure, are significant due to their potential as energy resources and their impact on gas pipelines. In this study, a two-dimensional (2D) lattice-gas model is employed to investigate the main thermodynamic properties of methane clathrate hydrates. The proposed framework is validated through comparison with experimental data and more advanced three-dimensional (3D) simulations. Adsorption isotherms, dissociation enthalpy and phase stability of the sI structure are evaluated using Monte Carlo (MC) simulations in the grand canonical ensemble. The 2D adsorption isotherms demonstrate a strong alignment with both experimental data and 3D simulations, thereby highlighting the 2D model’s ability to accurately represent both rigid and flexible sI structures. The dissociation enthalpy calculated using the proposed approach (76.4 kJ/mol) <del>excellently</del> matches the experimental value (78 kJ/mol), thus confirming the model’s validity. Furthermore, the phase diagram calculated using the Clausius-Clapeyron equation shows very good agreement with experimental data between 260 and 290 K, with deviations observed above this temperature. These findings highlight the efficacy and robustness of the 2D model in studying methane clathrate hydrates and suggest its potential applicability for investigating other guest species and hydrate structures.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"432 ","pages":"Article 127669"},"PeriodicalIF":5.3,"publicationDate":"2025-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143936326","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":"Dissolution of anthracene in aromatics: Solubility, correlation and thermodynamic analysis","authors":"Yixuan Wang ,&nbsp;Zhenmin Cheng ,&nbsp;Quanjie Liu ,&nbsp;Chao Yang ,&nbsp;Liming Jia ,&nbsp;Chen Yang ,&nbsp;Hongxin Bai","doi":"10.1016/j.molliq.2025.127691","DOIUrl":"10.1016/j.molliq.2025.127691","url":null,"abstract":"<div><div>Anthracene is characterized by its unique electronic and organic properties as the cornerstone for various applications. Particularly in the synthesis of anthraquinone derivatives, anthracene serves as the key raw materials in the alkylation and oxidation, acting as the hydrogen carrier for hydrogen peroxide production via AO process. However, inadequate knowledge about its dissolution behavior in solvents has been one of the main limitations for its purification and practical applications, commonly resulting in its unsatisfactory commercial products and thus leads to insufficient efficiency of chemical synthesis. In this study, the solubility behavior of anthracene in various solvents was specifically investigated by the synthetic method at temperatures ranging from 304.15 to 338.15 K under atmospheric pressure. To facilitate decent solvent<del>s</del> screening, aromatics such as benzene and its derivatives were specifically exploited as the working solution components in this work. The experimental solubility values and their corresponding activity coefficient of anthracene were analyzed and correlated on the basis of modified Apelblat and <em>λ-h</em> models. Furthermore, thermodynamic analysis, including the changes of enthalpy, entropy, and Gibbs free energy, was subsequently conducted using the modified Van’t Hoff equation. As a result, the dissolution of anthracene is an endothermic and entropy-driven process in studied solvents, among which chlorobenzene seems to be the most actively interactive with anthracene and thus results to the best dissolving capacity for anthracene.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"432 ","pages":"Article 127691"},"PeriodicalIF":5.3,"publicationDate":"2025-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143927486","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":"Thermodynamic modeling and solubility behavior of etoricoxib in different mono-solvents at different temperatures","authors":"Pavan Rathi ,&nbsp;Mayura Kale ,&nbsp;Sachin Jagdale ,&nbsp;Abolghasem Jouyban","doi":"10.1016/j.molliq.2025.127748","DOIUrl":"10.1016/j.molliq.2025.127748","url":null,"abstract":"<div><div>Thermodynamic models for correlating the solubility of drugs in water and organic solvents have a practical importance in design and development of new products in pharmaceutical and chemical industries. Solubility data of etoricoxib (ETR) are scarce in the research literature. Thus the present investigation pertains to the utility of various thermodynamic models including van’t Hoff model, Apelblat model, and Buchowski-Ksiazczak model for solubility correlation of ETR in eighteen different mono-solvents, namely, methanol (MeOH), ethanol (EtOH), 1-propanol (1-PrOH), 2-propanol (2-PrOH), formamide, 1,4-dioxane, <em>N,N</em>-dimethyl formamide (DMF), <em>N,N</em>-dimethyl acetamide (DMA), dimethyl sulfoxide (DMSO), <em>N</em>-methyl-2-pyrrolidone (NMP), ethylene glycol (EG), propylene glycol (PG), 1,4-butanediol (BDOH), glycerin, polyethylene glycol-200 (PEG-200), PEG-400, PEG-600, and water at five different temperatures (T = 293.2 K to 313.2 K) and atmospheric pressure (p = 0.1 MPa). The solid state characterization by fourier transform Raman spectroscopy (FT-Raman), X-ray powder diffraction analysis (XRPD), and differential scanning calorimetry (DSC) confirmed no transformation of ETR into polymorphs. The mole fraction solubility of ETR was recorded the highest in PEG-600 (4.558 × 10^-1) and lowest in water (2.439 × 10^-5) at 313.2 K. The activity coefficients were calculated with the help of ideal solubilities, and found the highest molecular interaction between ETR and PEG-600. Moreover, apparent thermodynamic treatment of solubility data of ETR indicated an endothermic, spontaneous, and an entropy-driven dissolution process in all eighteen mono-solvents investigated. Thus, these reported thermodynamic parameters provide useful information for better understanding of dissolution of ETR.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"432 ","pages":"Article 127748"},"PeriodicalIF":5.3,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143937402","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":"Density, apparent viscosity, electrical conductivity, interfacial tension, and intermolecular interactions of PEG-ZnCl2-EG solution","authors":"Xunwei Liu,&nbsp;Kun Liu,&nbsp;Chang Yao,&nbsp;Dedan Deng,&nbsp;Chang Tian","doi":"10.1016/j.molliq.2025.127634","DOIUrl":"10.1016/j.molliq.2025.127634","url":null,"abstract":"<div><div>In order to understand the high solubility of polymers in deep eutectic solvent from the perspective of intermolecular interactions, herein we report the thermodynamic and transport properties of a polymer-deep eutectic solvent (DES) solution. The density, apparent viscosity, electrical conductivity, and interfacial tension for the mixtures of poly (ethylene glycol) (PEG)/with various zinc chloride (ZnCl₂)/ethylene glycol (EG) compositions were determined experimentally in the temperature range of 303.15–343.15 K. The variations of density, apparent viscosity, electrical conductivity, and interfacial tension with the temperature, PEG concentration, molar ratio of ZnCl₂ to EG, and PEG molecular weight were analyzed and interpreted with the variations of H-bond, molecular thermal motion, polymer chain-ends effect, and polymer chain entanglement. The results showed that the hydrogen bond effect displayed enhancement with molar ratio of ZnCl₂/EG and weakening with temperature, PEG concentration and molecular weight. The polymer chain-ends effect on density, apparent viscosity, electrical conductivity, and interfacial tension was enhanced with PEG concentration and weakened with PEG molecular weight. The effect of polymer chain entanglement was enhanced with PEG concentration and molecular weight. At low temperatures the Zn²⁺-EG H-bond was stronger than Zn²⁺-PEG while the situation became opposite at high temperatures. The correlations of density, apparent viscosity, and electrical conductivity with temperature and correlation of viscosity with density were conducted.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"430 ","pages":"Article 127634"},"PeriodicalIF":5.3,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143941153","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":"Henry's constant of helium in liquid lead-lithium alloys","authors":"E. Álvarez-Galera ,&nbsp;D. Laria ,&nbsp;F. Mazzanti ,&nbsp;L. Batet ,&nbsp;J. Martí","doi":"10.1016/j.molliq.2025.127719","DOIUrl":"10.1016/j.molliq.2025.127719","url":null,"abstract":"<div><div>Information about the solubility of helium in liquid metals is of fundamental relevance in the design of the future nuclear fusion reactors, since the formation of helium bubbles inside the breeding blankets of the reactors constitutes a threat to the durability of the devices and, more importantly, to the efficiency of tritium recovery. In the present work, we report molecular dynamics simulations results of the solubility of helium in a variety of lead-lithium alloys. Simulation experiments have been combined with a classical perturbative procedure able to compute the free energy of insertion of a helium atom inside a liquid metal bath, directly related to the solubility of helium. As the most important case, the eutectic state (16%Li-84%Pb at 508 K) has been explored in full details, predicting a solubility value of <span><math><mo>(</mo><mn>6.1</mn><mo>±</mo><mn>1.4</mn><mo>)</mo><mo>×</mo><msup><mrow><mn>10</mn></mrow><mrow><mo>−</mo><mn>16</mn></mrow></msup><mspace></mspace><msup><mrow><mi>Pa</mi></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup></math></span>. In addition, several temperatures and atomic fractions of the solvent have been explored. For any temperature, we have found that the solubility of helium in pure lithium is lower than in pure lead. We have also studied the 1000 K isotherm and observed that there is a minimum solubility value for ∼ 80%Li-20%Pb. The observed trends indicate that solubilities rise with increasing temperatures.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"432 ","pages":"Article 127719"},"PeriodicalIF":5.3,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143942152","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":"Impact of anion on properties of lithium ion battery electrolytes: A molecular dynamics investigation","authors":"Mohammed Wasay Mudassir ,&nbsp;Mahesh Mynam ,&nbsp;Bharath Ravikumar ,&nbsp;Beena Rai","doi":"10.1016/j.molliq.2025.127712","DOIUrl":"10.1016/j.molliq.2025.127712","url":null,"abstract":"<div><div>Lithium ion batteries (LIBs) are state-of-the-art rechargeable energy storage systems. Applications that demand fast-charging, high energy density, and long cycle life such as electric vehicles call for development of novel battery materials. Electrolyte, an important component of the battery, plays a crucial role in defining rate capability, cycle life, and safety of LIBs. In this work, we simulate various electrolytes composing of ethylene carbonate (EC) solvent, and salts such as <span><math><mi>LiP</mi><msub><mrow><mi>F</mi></mrow><mrow><mn>6</mn></mrow></msub></math></span>, LiFSI, and LiTDI within the molecular dynamics (MD) method. We study structural and dynamic properties of these electrolytes to understand the impact of anion on various properties of the electrolytes of 1 mol/kg salt concentration as a function of temperature. At lower temperatures LiFSI shows better ionic conductivity than <span><math><mi>LiP</mi><msub><mrow><mi>F</mi></mrow><mrow><mn>6</mn></mrow></msub></math></span>, while <span><math><mi>LiP</mi><msub><mrow><mi>F</mi></mrow><mrow><mn>6</mn></mrow></msub></math></span> performs better at higher temperatures. LiTDI shows notably the least ionic conductivity across temperatures. The LiFSI and LiTDI electrolytes show distinct structural properties compared to that of <span><math><mi>LiP</mi><msub><mrow><mi>F</mi></mrow><mrow><mn>6</mn></mrow></msub></math></span> electrolyte, which may influence the composition of solid-electrolyte interface (SEI), stability of which is crucial for safety and cycle life of LIBs. Our findings provide valuable insights into the role of anion in defining various properties of the electrolyte that help design novel electrolytes for advanced LIBs.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"432 ","pages":"Article 127712"},"PeriodicalIF":5.3,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143942207","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":"Biocompatible ionic liquids as stabilizers and dispersing solvents of multi-walled carbon nanotubes: A comparable study of stable composites between imidazolium and cholinium","authors":"Pannuru Kiran Kumar ,&nbsp;Indrani Jha ,&nbsp;Ritu Yadav ,&nbsp;Anjeeta Rani ,&nbsp;Indra Bahadur ,&nbsp;Pannuru Venkatesu ,&nbsp;Sangeeta Singh ,&nbsp;Kaniki Tumba","doi":"10.1016/j.molliq.2025.127742","DOIUrl":"10.1016/j.molliq.2025.127742","url":null,"abstract":"<div><div>This research explores the dispersion and stabilization of functionalized multi-walled carbon nanotubes (fCNTs) using ionic liquids (ILs) with varying concentrations of both fCNTs and ILs. In this work imidazolium-based ILs (1-butyl-3-methylimidazolium chloride [Bmim][Cl] and 1-butyl-3-methylimidazolium acetate [Bmim][Ac]) and cholinium-based ILs (choline chloride [Ch][Cl] and choline acetate [Ch][Ac]) were utilized to understand the impact of different ILs molecular structures on MWCNT dispersion. Techniques such as UV–visible spectroscopy, Fourier transform infrared spectroscopy (FTIR), dynamic light scattering (DLS), and transmission electron microscopy (TEM) were employed to analyze the ILs-MWCNT composites. The results indicate that MWCNT concentration significantly affects their interaction with ILs at 0.025 mg/mL of fCNTs being optimal for imidazolium-based ILs. Higher IL concentrations (0.5 and 1.0 mg/mL) were found to be less effective. Imidazolium-based ILs were more effective than cholinium-based ILs in dispersing of fCNTs, due to cation–π or CH–π interactions between imidazolium cations and the π-electron network of fCNTs. The formation of nano-IL-based composites was confirmed by a new absorption band around 225 nm in the UV–visible spectra. The stability in the absorbance peak suggests that the interaction between the ILs and fCNTs forms a stable complex that does not undergo significant changes or degradation for long-time, which makes them suitable for long-term use in various technological and industrial applications. This finding highlights the robustness of the IL-MWCNT interaction and underscores the potential of these materials for applications requiring stable and durable nanomaterial dispersions. This study sheds light on the mechanisms governing carbon nanotube (CNT) dispersion in aqueous solutions and emphasizes the importance of IL cationic components in optimizing MWCNT dispersion and stabilization.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"432 ","pages":"Article 127742"},"PeriodicalIF":5.3,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143936322","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":"Recent progress of fluorescent liquid crystals","authors":"Naiji Wang ,&nbsp;Wenjie Bi ,&nbsp;Yingliang Liu ,&nbsp;Shengang Xu ,&nbsp;Kunlun Wang ,&nbsp;Shaokui Cao","doi":"10.1016/j.molliq.2025.127741","DOIUrl":"10.1016/j.molliq.2025.127741","url":null,"abstract":"<div><div>Liquid crystals (LCs) are smart soft materials and have attracted great attention for over six decades. In recent years, significant progress has been made in the research of fluorescent liquid crystals (FLCs) in terms of molecular design, performance optimization, and expansion of application fields, which has been regarded as promising candidates not only for organic luminescent materials but also in areas such as sensors, solar cells, and organic optoelectronic devices. In particular, the review focused on two main classes of FLCs, rod-shaped and discotic-shaped LCs. The latest research advances on molecular design and synthesis, mesogenic properties, photophysical properties as well as applications were presented respectively. Further, the challenges and prospectives were discussed, hopefully offering reasonable and useful information to assist future development of this multidisciplinary area.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"432 ","pages":"Article 127741"},"PeriodicalIF":5.3,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143922532","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":"A comparative photophysical investigation of styryl dye in cationic and anionic miceller environments","authors":"Satvinder Kaur ,&nbsp;Kanika Guleria ,&nbsp;Debabrata Seth ,&nbsp;Amulya Prasad Panda ,&nbsp;Rabindranath Jana","doi":"10.1016/j.molliq.2025.127732","DOIUrl":"10.1016/j.molliq.2025.127732","url":null,"abstract":"<div><div>In the present study, we examine the impact of micellization by ionic surfactants on the photophysical properties of a styryl dye, 4-[4(dimethylamino)styryl]pyridine (DMASP), through steady-state absorption, fluorescence emission, and time-resolved fluorescence emission measurements and DFT studies. The spectroscopic results reveal that the photophysical behavior of DMASP is significantly influence by the charge, structure of the surfactant head group, and length of the alkyl chain of the surfactants. The binding constant and partition coefficient values indicate a more favorable interaction of DMASP with cationic surfactant Cetyltrimethylammonium bromide (CTAB) compare to the anionic surfactant Sodium dodecyl sulfate (SDS). Moreover, the higher average decay time of DMASP in CTAB is attributed to the increased viscosity and more hydrophobic core of the CTAB micelle, compared to SDS micelle. DFT studies further support the greater stability of the DMASP-CTAB complex over the DMASP-SDS complex based on by binding energy calculation. These finding demonstrate that DMASP is highly sensitive to the micellar environment, suggesting its potential as a useful probe to understand the structure of different biological microenvironments.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"432 ","pages":"Article 127732"},"PeriodicalIF":5.3,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143922536","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":"Thermophysical property prediction of supercritical multiple mixtures fluid by molecular dynamics simulation","authors":"Tete Gui,&nbsp;Jiasunle Li,&nbsp;Zhiwei Ge,&nbsp;Liejin Guo","doi":"10.1016/j.molliq.2025.127638","DOIUrl":"10.1016/j.molliq.2025.127638","url":null,"abstract":"<div><div>Supercritical multiple mixtures (H₂O/CO₂) fluids are produced in the poly-generation system based on supercritical water gasification (SCWG). Understanding the thermophysical property of supercritical multiple mixtures fluid is rather essential to design and industrialize the poly-generation system. At present, the selection of force field models for H₂O/CO₂ mixtures are rather complicated, chaotic and inconsistent, the calculation of each parameter necessitates the use of one force field model. There is no universal force field model to calculate and conduct thermophysical property of H₂O/CO₂ at one time in a wide range of temperature within SCW. In this paper, heat capacity, viscosity and thermal conductivity of multiple mixtures in supercritical and near-critical water (575 K–1075 k) are first investigated via a novel common force field model with molecular dynamics (MD) simulations. The effects of different factors including the pressure, temperature and CO₂ mass fraction on thermophysical properties of H₂O/CO₂ at a wide range of temperature were first analyzed and conducted in detail. The calculated results indicate that the phenomenon “critical point drift” for viscosity and thermal conductivity of H₂O/CO₂ mixtures migrating toward the low temperature region occurs. The drift values of viscosity and thermal conductivity are about 10 K and 28 K. The variation of heat capacity and viscosity of H₂O/CO₂ mixtures increases with increasing pressures only in low temperatures region (700 K-–800 K), while the thermal conductivity always increases with increasing pressures. When the mass fractions of CO₂ increases from 20 % to 40 % and 60 %, the drift values for thermal conductivity and viscosity of H₂O/CO₂ mixtures decreases from 628 K to 624 K and 620 K, and from 627 K to 618 K and 610 K, respectively, and the peak heat capacity decreases from 64.9 J/mol·K to 52.4 J/mol·K and 45.1 J/mol·K. The fitting polynomial to determine conductivity, viscosity and heat capacity H₂O/CO₂ mixtures as a functional relationship with temperature were first obtained. The research data of this paper could facilitate the industrialized application of the poly-generation system.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"432 ","pages":"Article 127638"},"PeriodicalIF":5.3,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143922531","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}