Fluid Phase Equilibria最新文献

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Can liquid-liquid equilibria be predicted by the combination of a cubic equation of state and a gE model not suitable for liquid-liquid equilibria? 立方状态方程与不适合液液平衡的 gE 模型相结合能否预测液液平衡?
IF 2.8 3区 工程技术
Fluid Phase Equilibria Pub Date : 2024-10-12 DOI: 10.1016/j.fluid.2024.114249
Romain Privat , Jean-Noël Jaubert , Georgios M. Kontogeorgis
{"title":"Can liquid-liquid equilibria be predicted by the combination of a cubic equation of state and a gE model not suitable for liquid-liquid equilibria?","authors":"Romain Privat ,&nbsp;Jean-Noël Jaubert ,&nbsp;Georgios M. Kontogeorgis","doi":"10.1016/j.fluid.2024.114249","DOIUrl":"10.1016/j.fluid.2024.114249","url":null,"abstract":"<div><div>In modern versions of cubic equations of state (EoS), the mixing rules for EoS parameters are derived from an activity coefficient model using either the Huron-Vidal or the Zero Reference Pressure (ZRP) approach. As it is a fact that Wilson's activity coefficient model cannot predict liquid-liquid equilibria (LLE), this article attempts to answer the question: if Wilson's model is coupled with a cubic EoS, is the resulting model capable of predicting LLE?</div><div>This question is actually becoming increasingly important as recent EoS rely on such a coupling (e.g., the tc-PR EoS). We show that although Wilson's model is mathematically unable to predict instable liquid phases, this is not true for Wilson-EoS models (i.e., EoS incorporating Wilson's model). However, it is also shown that the capacity of Wilson-EoS to predict LLE depends not only on the approach chosen (Huron-Vidal or ZRP) but also on mixture characteristics (such as the ratio of covolumes, the ratio of critical attractive parameters, the binary interaction parameters etc.).</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"589 ","pages":"Article 114249"},"PeriodicalIF":2.8,"publicationDate":"2024-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142528735","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Wetting and interfacial behavior of imidazolium-based ionic liquids and water: A comprehensive review 咪唑基离子液体与水的润湿和界面行为:全面综述
IF 2.8 3区 工程技术
Fluid Phase Equilibria Pub Date : 2024-10-11 DOI: 10.1016/j.fluid.2024.114252
Sanchari Bhattacharjee, Devargya Chakraborty, Sandip Khan
{"title":"Wetting and interfacial behavior of imidazolium-based ionic liquids and water: A comprehensive review","authors":"Sanchari Bhattacharjee,&nbsp;Devargya Chakraborty,&nbsp;Sandip Khan","doi":"10.1016/j.fluid.2024.114252","DOIUrl":"10.1016/j.fluid.2024.114252","url":null,"abstract":"<div><div>Ionic liquids (ILs) have garnered considerable attention for their diverse applications, notably in controlling wettability on specific solid substrates, which holds ramifications for various processes reliant on interfacial behaviour encompassing adhesion and wetting. This review encompasses key advancements in IL wetting behavior and its implications. Factors such as drop size, temperature, alkyl chain structure, anion type, water concentration, and external electric fields influence the contact angle of ILs and their aqueous solutions. Despite challenges arising from IL property susceptibility to water content and wettability measurement sensitivity to solid surface, this review navigates the extent of IL wetting research, addressing line tension, surface tension measurement, and hydrogen bonding. The study aspires to furnish profound insights into IL wetting dynamics, informing IL-based fluidic technology design and elucidating intricate static and dynamic wetting attributes in analogous complex fluids.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"589 ","pages":"Article 114252"},"PeriodicalIF":2.8,"publicationDate":"2024-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142528734","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A calorimetric and Raman spectroscopy study on the phase behavior of DIOX + CO2 hydrate 关于 DIOX + CO2 水合物相行为的量热和拉曼光谱研究
IF 2.8 3区 工程技术
Fluid Phase Equilibria Pub Date : 2024-10-11 DOI: 10.1016/j.fluid.2024.114253
Qing-Yi Xiao , Xi-Yue Li , Dong-Liang Zhong , Jin Yan
{"title":"A calorimetric and Raman spectroscopy study on the phase behavior of DIOX + CO2 hydrate","authors":"Qing-Yi Xiao ,&nbsp;Xi-Yue Li ,&nbsp;Dong-Liang Zhong ,&nbsp;Jin Yan","doi":"10.1016/j.fluid.2024.114253","DOIUrl":"10.1016/j.fluid.2024.114253","url":null,"abstract":"<div><div>This work presents a calorimetric and Raman spectroscopy investigation on the phase behavior of DIOX (1,3-Dioxolane) + CO<sub>2</sub> hydrate. A high-pressure micro-differential scanning calorimeter (HP μ-DSC) was used to determine the phase equilibrium data of DIOX + CO<sub>2</sub> hydrate formed at 1 mol% and 5.56 mol% DIOX. A high-pressure in situ Raman spectroscopy apparatus was used to record the transient CO<sub>2</sub> Raman spectra. The spectra were employed to study CO<sub>2</sub> incorporation into the hydrate cages during the DIOX hydrate formation process. The results indicate that the DIOX + CO<sub>2</sub> hydrate formed at 5.56 mol% DIOX is more stable than that formed at 1 mol% DIOX. The amount of DIOX + CO<sub>2</sub> hydrate is increased when increasing the pressure from 3.0 MPa to 4.8 MPa, and more CO<sub>2</sub> molecules are captured in the hydrate. Through the in situ Raman spectroscopy experiments, it is found that DIOX hydrate formed quickly at the beginning of the experiment and CO<sub>2</sub> molecules were trapped in the small cages more slowly than the incorporation of DIOX into the hydrate. The results reported in this work have confirmed the feasibility of using DIOX as a thermodynamic additive to promote the hydrate-based CO<sub>2</sub> capture.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"589 ","pages":"Article 114253"},"PeriodicalIF":2.8,"publicationDate":"2024-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142528499","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Thermophysical properties: Viscosity, density, and excess properties of 2-propanol and n-Decane mixtures from 283.15 K to 343.15 K under atmospheric conditions 热物理性质:大气条件下 283.15 K 至 343.15 K 的 2-丙醇和正癸烷混合物的粘度、密度和过量特性
IF 2.8 3区 工程技术
Fluid Phase Equilibria Pub Date : 2024-10-11 DOI: 10.1016/j.fluid.2024.114254
Abdulalim Ibrahim , Christophe Coquelet , Alain Valtz , Fabienne Espitalier
{"title":"Thermophysical properties: Viscosity, density, and excess properties of 2-propanol and n-Decane mixtures from 283.15 K to 343.15 K under atmospheric conditions","authors":"Abdulalim Ibrahim ,&nbsp;Christophe Coquelet ,&nbsp;Alain Valtz ,&nbsp;Fabienne Espitalier","doi":"10.1016/j.fluid.2024.114254","DOIUrl":"10.1016/j.fluid.2024.114254","url":null,"abstract":"<div><div>To study the effects of temperature as well as molecular interaction of a fluid system on the thermophysical properties of 2-propanol and n-Decane binary mixture, the density (ρ), dynamic viscosity (η), speed of sound (<span><math><mi>u</mi></math></span>), and refractive index (<span><math><msub><mi>n</mi><mi>D</mi></msub></math></span>) of pure 2-propanol and n-Decane, along with their binary mixtures, were experimentally measured across the entire compositional range at temperatures from 283.15 to 343.15 K and atmospheric pressure. These experimental measurements helped in the evaluation of various thermophysical properties, such as excess molar volume <span><math><mrow><mo>(</mo><msup><mrow><mi>v</mi></mrow><mi>E</mi></msup><mo>)</mo></mrow></math></span>, coefficient of thermal expansion (<span><math><msup><mrow><mi>α</mi></mrow><mi>E</mi></msup></math></span>), and isentropic compressibility <span><math><mrow><mo>(</mo><msup><mrow><msub><mi>κ</mi><mi>s</mi></msub></mrow><mi>E</mi></msup><mo>)</mo></mrow></math></span>. The experimental dynamic viscosity (η) and density (ρ) data were used to evaluate kinematic viscosity (<strong><em>v</em></strong>) and Gibbs free energy (Δ<em>G</em>) of flow with an equation based on Eyring's absolute state theory, and their corresponding excess properties. The excess properties of the binary mixtures were correlated using a Redlich-Kister type polynomial equation via the least-squares regression method, with fitting parameters determined for the binary system. Moreover, the Prigogine–Flory–Patterson theory (PFP) was utilized to identify the primary molecular interactions contributing to the excess molar volume at 293.15, 308.15, and 323.15 K for the binary mixtures. Additionally, the capability of the Eyring-NRTL model was tested to predict the viscosity as well as vapor-liquid equilibrium (VLE) of the binary system, and the correlated model results agreed with literature data.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"589 ","pages":"Article 114254"},"PeriodicalIF":2.8,"publicationDate":"2024-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142445075","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Influence of excipients on solubility of oxcarbazepine: Modeling and prediction based on thermodynamic models 辅料对奥卡西平溶解度的影响:基于热力学模型的建模和预测
IF 2.8 3区 工程技术
Fluid Phase Equilibria Pub Date : 2024-10-09 DOI: 10.1016/j.fluid.2024.114251
Qinxi Fan , Mingdong Zhang , Yewei Ding , Alexey I. Victorov , Yuanhui Ji
{"title":"Influence of excipients on solubility of oxcarbazepine: Modeling and prediction based on thermodynamic models","authors":"Qinxi Fan ,&nbsp;Mingdong Zhang ,&nbsp;Yewei Ding ,&nbsp;Alexey I. Victorov ,&nbsp;Yuanhui Ji","doi":"10.1016/j.fluid.2024.114251","DOIUrl":"10.1016/j.fluid.2024.114251","url":null,"abstract":"<div><div>In this work, the solubility of oxcarbazepine in polymers (PEG 6000, PEG 20,000, PVP K25, and PVP K30) and their aqueous solutions was investigated by experimental measurement and thermodynamic modeling. Firstly, the solubility of oxcarbazepine in water and polymers was modeled and the corresponding binary interaction parameters (oxcarbazepine + water and oxcarbazepine + polymer) were determined based on the experimental phase equilibrium data. Furthermore, the solubility of oxcarbazepine in the polymer aqueous solution (the mass ratios of polymers in water were 2 %, 4 %, and 6 %) was predicted by the solid-liquid equilibrium (SLE) coupled with the Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT). It was observed that the predicted results agreed well with the experimental data, and the average relative deviation (ARD) was &lt;7 %. In this study, the solubility of oxcarbazepine in polymer aqueous solution was successfully predicted through the SLE coupled with the PC-SAFT, which was expected to provide theoretical guidance for the selection of pharmaceutical excipients and the rational design of preparations.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"589 ","pages":"Article 114251"},"PeriodicalIF":2.8,"publicationDate":"2024-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142528733","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Vapor-liquid equilibria for the CO2 + trimethoxymethylsilane and CO2 + triethoxymethylsilane systems under high-pressure conditions 高压条件下二氧化碳+三甲氧基甲基硅烷和二氧化碳+三甲氧基甲基硅烷体系的气液平衡
IF 2.8 3区 工程技术
Fluid Phase Equilibria Pub Date : 2024-10-09 DOI: 10.1016/j.fluid.2024.114246
Divya Baskaran , Jongho Kim , Uma Sankar Behera, Hun-Soo Byun
{"title":"Vapor-liquid equilibria for the CO2 + trimethoxymethylsilane and CO2 + triethoxymethylsilane systems under high-pressure conditions","authors":"Divya Baskaran ,&nbsp;Jongho Kim ,&nbsp;Uma Sankar Behera,&nbsp;Hun-Soo Byun","doi":"10.1016/j.fluid.2024.114246","DOIUrl":"10.1016/j.fluid.2024.114246","url":null,"abstract":"<div><div>New binary isotherms are crucial for designing chemical separation processes within supercritical carbon dioxide (CO<sub>2</sub>) + trialkoxysilane systems. Vapor-liquid equilibria (VLE) were investigated for two-component systems, trimethoxymethylsilane + CO<sub>2</sub> and triethoxymethylsilane + CO<sub>2</sub>, at five temperatures (313.2, 333.2, 353.2, 373.2, and 393.2 K) and pressures up to 14.07 MPa using a synthetic high-pressure phase equilibria apparatus. The pressure-temperature (<em>P-T</em>) plot indicates that the critical mixture curve lies between the critical points of CO<sub>2</sub> and the trialkoxysilane compounds. The solubility of trimethoxymethylsilane and triethoxymethylsilane in CO<sub>2</sub> increased with increasing temperature at constant pressure, following a type-I phase behavior characteristic. The experimentally observed VLE values of the CO<sub>2</sub> + trialkoxysilane systems were correlated using the Peng-Robinson equation of state with binary parameters (<em>k<sub>ij</sub></em> and <em>η<sub>ij</sub></em>) in the conventional mixing rule. The model accuracy was validated by calculating the average relative deviation percentage for the pressure of the binary systems, resulting in values of 4.98% for the trimethoxymethylsilane + CO<sub>2</sub> system and 3.64% for the triethoxymethylsilane + CO<sub>2</sub> system. The estimated variables fell within reasonable limits and showed no significant differences between the predicted and observed VLE data for both systems.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"589 ","pages":"Article 114246"},"PeriodicalIF":2.8,"publicationDate":"2024-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142431978","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Speed of sound measurements of binary n-octane+ ethylcyclohexane mixture at liquid-gas phase transition curve 二元正辛烷+乙基环己烷混合物在液气相变曲线处的声速测量结果
IF 2.8 3区 工程技术
Fluid Phase Equilibria Pub Date : 2024-10-09 DOI: 10.1016/j.fluid.2024.114248
Eugene G. Pashuk , Jiangtao Wu , Ilmutdin M. Abdulagatov
{"title":"Speed of sound measurements of binary n-octane+ ethylcyclohexane mixture at liquid-gas phase transition curve","authors":"Eugene G. Pashuk ,&nbsp;Jiangtao Wu ,&nbsp;Ilmutdin M. Abdulagatov","doi":"10.1016/j.fluid.2024.114248","DOIUrl":"10.1016/j.fluid.2024.114248","url":null,"abstract":"<div><div>Bio-jet fuel is a key element in the aviation industry to reduce operating costs and environmental impacts. Bio-jet fuel is a complex mixture of four hydrocarbons (<em>n</em>-alkanes, isoalkanes, cycloalkanes and aromatics). In the present work, the speed of sound in pure <em>n</em>-octane, <em>ethylcyclohexane</em>, and their mixtures with six selected compositions of (0.3004, 0.4191, 0.4999, 0.5538, 0.6991, and 0.7852 mole fraction of ethylcyclohexane) has been measured along the l-G saturation curve in the temperature ranges from (286 to 443) K using the pulse method with a constant (acoustic) sounding base. The combined expanded absolute and relative uncertainties (0.95 level of confidence, <em>k</em> = 2) of the temperature, concentration, and speed of sound measurements are estimated to be 20 mK, 0.0006 mole fraction, and 0.2 %, respectively. The measured speed of sound data together with our previous reported density data for the pure component (<em>ethylcyclohexane</em>) and the mixture were used to calculate derived thermodynamic properties, such as isentropic compressibility <span><math><msub><mi>k</mi><mi>S</mi></msub></math></span> and heat capacity ratios <span><math><mfrac><msub><mi>C</mi><mi>P</mi></msub><msub><mi>C</mi><mi>V</mi></msub></mfrac></math></span> as a function of temperature along the l-G saturation curve for the pure components and the mixture for selected concentration of <em>x</em> = 0.8 mole fraction of <em>ethylcyclohexane</em>. The deviation of the measured speed of sound data for the mixture from the linear additive rule has been determined using the pure component data.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"589 ","pages":"Article 114248"},"PeriodicalIF":2.8,"publicationDate":"2024-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142432696","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Thermodynamic modelling of systems involved in natural gas dehydration with triethylene glycol using a group contribution association model 利用群体贡献关联模型建立天然气与三甘醇脱水系统的热力学模型
IF 2.8 3区 工程技术
Fluid Phase Equilibria Pub Date : 2024-10-05 DOI: 10.1016/j.fluid.2024.114241
George Tasios , Vasiliki Louli , Efstathios Skouras , Even Solbraa , Epaminondas Voutsas
{"title":"Thermodynamic modelling of systems involved in natural gas dehydration with triethylene glycol using a group contribution association model","authors":"George Tasios ,&nbsp;Vasiliki Louli ,&nbsp;Efstathios Skouras ,&nbsp;Even Solbraa ,&nbsp;Epaminondas Voutsas","doi":"10.1016/j.fluid.2024.114241","DOIUrl":"10.1016/j.fluid.2024.114241","url":null,"abstract":"<div><div>Natural gas (NG) dehydration through absorption into Triethylene Glycol (TEG) is one of the most important applications in the NG industry. The optimal design of the TEG dehydration process requires a deep understanding of the thermodynamic behavior of mixtures containing TEG, water, hydrocarbons, and other compounds present in natural gas. In this work, the recently developed Universal Mixing Rule – Cubic Plus Association (UMR-CPA) group contribution equation of state (EoS) is extended to these systems. UMR-CPA combines the PR-CPA EoS with the UNIFAC group contribution activity coefficient model through the Universal Mixing Rules. Parameters for pure water, TEG and NG components were determined by accurately fitting vapor pressure, density and heat capacity data. For non-associating compounds, the model leads to overall deviations of 1.2 % in vapor pressures and 6.1 % in isobaric heat capacities. Water properties are also quite accurately described, with overall deviations of approximately 0.4 %, 1.2 % and 5.7 % in vapor pressures, liquid densities and isobaric heat capacities, respectively. The model was then applied to mixtures of water and TEG with gases and hydrocarbons by correlating the proper group interaction parameters. Very satisfactory results were obtained for both vapor-liquid and liquid-liquid phase equilibria in these systems, where also an adequate reproduction of the minimum of hydrocarbon solubility in water was noted. Finally, the UMR-CPA EoS was further validated through the prediction of the phase behavior of ternary systems including TEG and/or water and NG compounds. Very good predictions were achieved for the low TEG and water content in the vapor phase of the TEG-H<sub>2</sub>O-CH<sub>4</sub> ternary system, with absolute deviations of around 0.05 and 23.26 ppm, respectively. Overall, the model yields accurate predictions, suggesting its suitability for designing the TEG dehydration process.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"588 ","pages":"Article 114241"},"PeriodicalIF":2.8,"publicationDate":"2024-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142418263","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Co-sorption of volatile components in polymer-based pharmaceutical formulations 聚合物基药物制剂中挥发性成分的共吸附作用
IF 2.8 3区 工程技术
Fluid Phase Equilibria Pub Date : 2024-10-05 DOI: 10.1016/j.fluid.2024.114247
Jana Kerkhoff , Dominik Borrmann , Gabriele Sadowski
{"title":"Co-sorption of volatile components in polymer-based pharmaceutical formulations","authors":"Jana Kerkhoff ,&nbsp;Dominik Borrmann ,&nbsp;Gabriele Sadowski","doi":"10.1016/j.fluid.2024.114247","DOIUrl":"10.1016/j.fluid.2024.114247","url":null,"abstract":"<div><div>Amorphous Solid Dispersions (ASDs) are mixtures of active pharmaceutical ingredients (APIs) and polymers aiming to increase API aqueous solubility and bioavailability. ASDs are often produced using solvent-based manufacturing, such as spray drying. Due to solubility or miscibility limitations in one solvent, solvent mixtures are frequently used for this purpose. Drying solvents or solvent mixtures from polymer-based products like ASDs is an energy-intensive and time-consuming process. Designing and optimising this drying process requires knowledge of the sorption isotherms of the solvent(s) in these polymer-based products. In this work, we developed a novel approach for measuring the simultaneous absorption/desorption of two solvents in a polymer. Combining classical dynamic vapour sorption (DVS) measurements with Raman spectroscopy, this innovative approach provides a more detailed and accurate measurement of the sorption isotherms than common methods. Moreover, we developed an approach for precisely predicting the sorption equilibria in three-component systems just based on sorption data of the corresponding binary subsystems. Our modelling approach combines the Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) with the Non-Equilibrium Thermodynamics of Glassy Polymers (NET-GP). Building on the description of the sorption isotherms of either water or ethanol in poly(vinylpyrrolidone-co-vinyl acetate) (PVPVA64) and in indomethacin (IND), we were able to quantitatively predict the simultaneous sorption of water and ethanol in PVPVA64 and the one of ethanol in an IND/PVPVA64 ASD.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"589 ","pages":"Article 114247"},"PeriodicalIF":2.8,"publicationDate":"2024-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142445074","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Assessment of dissociation enthalpies of methane hydrates in the absence and presence of ionic liquids using the Clausius-Clapeyron approach 利用克劳修斯-克拉皮隆方法评估无离子液体和有离子液体时甲烷水合物的解离焓
IF 2.8 3区 工程技术
Fluid Phase Equilibria Pub Date : 2024-10-02 DOI: 10.1016/j.fluid.2024.114245
Mohammad Arshad , Tausif Altamash , Anastasiia Keba , Mohd Sajid Ali , Johan Jacquemin , José M.S.S. Esperança , Mohammad Tariq
{"title":"Assessment of dissociation enthalpies of methane hydrates in the absence and presence of ionic liquids using the Clausius-Clapeyron approach","authors":"Mohammad Arshad ,&nbsp;Tausif Altamash ,&nbsp;Anastasiia Keba ,&nbsp;Mohd Sajid Ali ,&nbsp;Johan Jacquemin ,&nbsp;José M.S.S. Esperança ,&nbsp;Mohammad Tariq","doi":"10.1016/j.fluid.2024.114245","DOIUrl":"10.1016/j.fluid.2024.114245","url":null,"abstract":"<div><div>The Clausius-Clapeyron (CC) equation is generally preferred to obtain dissociation enthalpies (ΔH) of hydrate-forming systems due to its ease of use. The application of other direct and indirect methods becomes more problematic if complex additives such as ionic liquids (ILs) are also present in the system. In this work, around 400 equilibrium data points for methane hydrates in the presence of over 80 ILs were collected from the literature in the temperature and pressure ranges of (272.10 – 306.07) K and (2.48 – 100.34) MPa, respectively. The ΔH of methane hydrates in the absence and presence of ionic liquids (ILs) have been calculated using the CC equation. The compressibility factor (<em>z</em>), required to calculate ΔH at each phase equilibrium condition has been obtained from three different approaches <em>viz</em>., Peng-Robinson (PR) equation of state, Soave-Redlich-Kwong (SRK) equation of state and Pitzer (Pz) correlation. The results were compared to the experimentally reported dissociation enthalpy (54.5 ± 1.5 kJ.mol<sup>−1</sup>) of methane hydrates. The role of the compressibility factor along with the slope of the equilibrium data set and the temperature/pressure range in determining the outcome of the CC equation has been discussed. The effect of molar mass, molar volume, and hydrate suppression temperature of the ILs on the ΔH of methane hydrates has been explored. The tested ILs do not show a systematic and significant influence on enthalpies, rather they show a large scattering in the ΔH values, which might mask any existing subtle effect of the ILs on the dissociation enthalpies. Therefore, this approach should be dealt with care to obtain molecular-level insights.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"589 ","pages":"Article 114245"},"PeriodicalIF":2.8,"publicationDate":"2024-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142431976","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","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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