Journal of Chemical Thermodynamics最新文献

{"title":"Separation of 2-ethoxyethanol from wastewater by four esters: Correlation of LLE thermodynamic modeling, influence of molecular structure, and investigation of component interactions","authors":"Erkang Li,&nbsp;Jiajun Wei,&nbsp;Lei Li,&nbsp;Xinlei Niu,&nbsp;Yulin Shao,&nbsp;Yingmin Yu","doi":"10.1016/j.jct.2024.107344","DOIUrl":"https://doi.org/10.1016/j.jct.2024.107344","url":null,"abstract":"<div><p>To prevent the wastewater containing 2-ethoxyethanol (2EE) from causing environmental pollution and economic waste, liquid–liquid extraction was used to recover 2-ethoxyethanol from wastewater in this study. The liquid–liquid equilibrium behavior of water + 2-ethoxyethanol + four solvents (propyl acetate, isopropyl acetate, n-butyl acetate, and isobutyl acetate) was investigated at 303.2 K and atmospheric pressure. The distribution coefficient (<em>D</em>) and separation factor (<em>S</em>) were used to compare and discuss the extraction efficiency of each system. The results indicated that all esters could effectively separate 2-ethoxyethanol from water. Among them, isobutyl acetate exhibited the highest values for <em>D</em> and <em>S</em>, demonstrating its superior separation capability. The experimental data were correlated with the thermodynamic model and interaction parameters were obtained. These parameters were verified using the GUI-MATLAB tool, and all four systems passed validation, confirming the reliability of the obtained binary interaction parameters. Furthermore, the root mean square deviation (<em>RMSD</em>) was used to assess the deviation between the experimental and regression values. The <em>RMSD</em> values for the NRTL and UNIQUAC models were 0.008 and 0.007, respectively. The interactions between 2-ethoxyethanol and water or esters were explored using σ-Profile, and it was found that esters with a branched chain structure provided better extraction. To explain the properties of the extractants microscopically, the interaction energies between 2-ethoxyethanol molecules and water or ester molecules, as well as the non-bonding energies of 2-ethoxyethanol in different media, were calculated.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"198 ","pages":"Article 107344"},"PeriodicalIF":2.2,"publicationDate":"2024-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141607383","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}

{"title":"Phase transition study of bathophenanthroline and bathocuproine: A multitechnique approach","authors":"José M. Silva Ferraz ,&nbsp;Lorenza Romagnoli ,&nbsp;Bruno Brunetti ,&nbsp;Andrea Ciccioli ,&nbsp;Stefano Vecchio Ciprioti ,&nbsp;Vera L.S. Freitas ,&nbsp;Maria D.M.C. Ribeiro da Silva","doi":"10.1016/j.jct.2024.107346","DOIUrl":"10.1016/j.jct.2024.107346","url":null,"abstract":"<div><p>The thermal behaviour of bathophenanthroline and bathocuproine has been studied using several techniques, namely, differential scanning calorimetry and thermogravimetry. To determine their respective enthalpies of sublimation, vapor pressure measurements were carried out using different methods, such as Knudsen effusion mass loss/mass spectrometry, isothermal thermogravimetry, and a quartz crystal microbalance technique. Furthermore, the enthalpies of sublimation were determined by measuring the heat change of the sublimation process using high-temperature Calvet microcalorimetry.</p><p>The results obtained in this work allowed the determination of the standard molar enthalpies of sublimation at 298.15 K, for bathophenanthroline and bathocuproine. The values obtained were (183.8 ± 2.2) kJ⋅mol⁻¹ and (206.2 ± 2.8) kJ⋅mol⁻¹, respectively. Additionally, the standard molar enthalpies of fusion were determined to be (30.4 ± 0.4) kJ⋅mol⁻¹ and (26.5 ± 1.6) kJ⋅mol⁻¹ for bathophenanthroline and bathocuproine, respectively. The analysis of the results allows a deeper understanding of the phase transition behavior for these compounds from the condensed to the gaseous phases, elucidating molecular decomposition and the inherent intermolecular forces governing the species.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"198 ","pages":"Article 107346"},"PeriodicalIF":2.2,"publicationDate":"2024-07-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0021961424000995/pdfft?md5=c7af634d4953626fcbcc0b06338687bc&pid=1-s2.0-S0021961424000995-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141622824","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}

{"title":"Gaseous pvTx properties for the binary mixtures of carbon dioxide (CO2) + trans-1,3,3,3-tetrafluoropropene (R1234ze(E)) and carbon dioxide (CO2) + 3,3,3-trifluoropropene (R1243zf)","authors":"Erqi Wang,&nbsp;Shuzhou Peng,&nbsp;Kang Qing,&nbsp;Zhen Yang,&nbsp;Yuanyuan Duan","doi":"10.1016/j.jct.2024.107345","DOIUrl":"https://doi.org/10.1016/j.jct.2024.107345","url":null,"abstract":"<div><p>The gaseous <em>pvTx</em> data of the binary mixtures for carbon dioxide (CO₂) + <em>trans</em>-1,3,3,3-tetrafluoropropene (R1234ze(E)) and CO₂ + 3,3,3-trifluoropropene (R1243zf) were experimentally measured at 5 isotherms from 333.15 K to 393.15 K. The experiment used a Burnett apparatus and the highest experimental pressure exceeded 7 MPa. The standard uncertainties of temperature, pressure and mole fraction are 10 mK, 0.2 ∼ 0.8 kPa and 0.0015, respectively. The relative uncertainty of the molar density is 0.05 %. Based on the experimental data of pure components and mixtures, three-term truncated virial equations of state (EoS) were established. The relative root mean square deviations (RMSD) of virial EoS in calculating density of CO₂ + R1234ze(E) and CO₂ + R1243zf mixtures are 0.15 % and 0.05 %, respectively. The virial EoS obtained in this work were compared with REFPROP 10.0 and the literature data, and the virial coefficients were calculated and compared between the experimental value and the calculated value from virial EoS.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"198 ","pages":"Article 107345"},"PeriodicalIF":2.2,"publicationDate":"2024-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141542015","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}

{"title":"Vapor-liquid equilibrium data for the binary system isopropanol+water at 60 kPa and 80 kPa","authors":"Camilla Barbieri,&nbsp;Giorgia De Guido,&nbsp;Stefania Moioli","doi":"10.1016/j.jct.2024.107342","DOIUrl":"https://doi.org/10.1016/j.jct.2024.107342","url":null,"abstract":"<div><p>In this work, experimental Vapor-Liquid Equilibrium (VLE) data for the Isopropanol + Water system under vacuum conditions at 60 kPa and at 80 kPa, for which no experimental evidences have been found in the literature, are reported. The experimental investigation of the isobaric equilibrium has been carried out by GASP at the Process Thermodynamics laboratory (PT lab) of Politecnico di Milano by employing an all-glass dynamic recirculation still. The collected experimental data, together with those already available in the literature at other conditions, have been used for the evaluation of the thermodynamic model that best fits the data. Four different models have been considered and their performances have been checked through the calculation of the Absolute Average Deviation (AAD%). The lowest AAD% has been found for the UNIFAC model only for isobaric data, not for the isothermal points. The regression tool available in Aspen Plus® V14 has been used to fit the binary interaction parameters of the NRTL activity model.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"198 ","pages":"Article 107342"},"PeriodicalIF":2.2,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141542014","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}

{"title":"Solubility determination, model evaluation, molecular simulation and thermodynamic analysis of Dehydroacetic acid in thirteen pure solvents","authors":"Jing-Hui Liu,&nbsp;Zi-Yang Zhou,&nbsp;Xiao-Feng Zhang,&nbsp;Bin Zhao,&nbsp;Guo-Qin Hu","doi":"10.1016/j.jct.2024.107343","DOIUrl":"https://doi.org/10.1016/j.jct.2024.107343","url":null,"abstract":"<div><p>The solid–liquid equilibrium solubility of DHA in thirteen pure solvents (methanol, ethanol, n-propanol, isopropanol, n-pentanol, ethyl formate, ethyl acetate, N, N-dimethyl acetamide (DMA), N, N-dimethyl formamide (DMF), acetonitrile, acetone, 2-butanone, dimethyl sulfoxide (DMSO)) was determined at temperatures ranging from 288.15–323.15 K under local atmosphere by gravimetric method. The experimental results showed that the solubility of DHA was positively correlated with the rising of temperatures. Five thermodynamic models, including Ideal model, Apelblat model, λh model, NRTL model and Wilson model, were employed to fit the experimental data and Wilson model provided a better correlation. The KAT-LSER model and molecular dynamic simulations were also carried out to investigate the effects of solvent–solute interactions on solubility. Furthermore, the thermodynamic properties of the dissolution process were calculated and the results argued a spontaneous, exothermic and entropy-driven process.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"198 ","pages":"Article 107343"},"PeriodicalIF":2.2,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141596281","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}

{"title":"Experimental speed-of-sound data and a fundamental equation of state for normal hydrogen optimized for flow measurements","authors":"Tan-Trieu-Giang Nguyen ,&nbsp;Carsten Wedler ,&nbsp;Sven Pohl ,&nbsp;Dan Penn ,&nbsp;Roland Span ,&nbsp;J.P. Martin Trusler ,&nbsp;Monika Thol","doi":"10.1016/j.jct.2024.107341","DOIUrl":"10.1016/j.jct.2024.107341","url":null,"abstract":"<div><p>Speed-of-sound measurements for normal hydrogen (<em>n</em>-hydrogen) in a temperature range between 273 K and 323 K were carried out using a cylindrical resonator at pressures from 1 MPa to 10 MPa and a dual-path pulse-echo system at pressures from 20 MPa to 100 MPa. The relative expanded uncertainties (<em>k</em> = 2) of the measurements range from 0.04 % to 0.08 %. Based on these measurements and data from the literature, a fundamental equation of state (EOS) was developed for the calculation of thermodynamic properties of <em>n</em>-hydrogen. It is expressed in terms of the Helmholtz energy with the independent variables temperature and density. Due to the fundamental nature of the Helmholtz energy, the equation can be used to calculate all thermodynamic properties from one mathematical expression. In contrast to typical EOS of this kind, the boundary conditions are somewhat more restricted. The relevant temperature and pressure ranges are limited to typical pipeline and storage conditions of gaseous hydrogen, including temperatures relevant for measurements with critical nozzles (140 K to 370 K with pressures up to 100 MPa). The computational speed for the implementation of the correlation in measurement sensors plays a superior role. Therefore, the equation is kept as short as possible, and exponents are of integer-kind. Most of the experimental data are still reproduced within their measurement uncertainties.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"198 ","pages":"Article 107341"},"PeriodicalIF":2.2,"publicationDate":"2024-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0021961424000946/pdfft?md5=a7441abf3047b96c56968b1060af220b&pid=1-s2.0-S0021961424000946-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141622825","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}

{"title":"Volumetric, acoustic and spectroscopic studies of molecular interactions in 1-butyl-3-methylimidazolium hexafluorophosphate + ethyl/propyl/n-butyl acetate binary mixtures at different temperatures","authors":"Nidhi,&nbsp;Anil Kumar Nain","doi":"10.1016/j.jct.2024.107339","DOIUrl":"10.1016/j.jct.2024.107339","url":null,"abstract":"<div><p>The purpose of this work is to investigate the influence of concentration, temperature and molecular size on intermolecular interactions in the mixtures of 1-butyl-3-methylimidazolium hexafluorophosphate [BMIM][PF₆] with some alkyl acetates. The densities, <em>ρ</em> and speeds of sound, <em>u</em> for the 1-butyl-3-methylimidazolium hexafluorophosphate + ethyl acetate/propyl acetate/<em>n</em>-butyl acetate binary mixtures were measured over the entire range of composition at the temperatures, <em>T</em> = (293.15 – 323.15) K at 5 K intervals and at pressure, <em>p</em> = 101 kPa. The experimental data was used to calculate various excess properties, <em>viz.</em>, excess molar volume, excess isentropic compressibility, excess intermolecular free length, excess speed of sound, excess molar isentropic compressibility and excess acoustic impedance. The partial molar volumes and compressibilities; and excess partial molar volumes and compressibilities of the components over the entire composition range and at infinite dilution have also been calculated. The results clearly indicated the presence of intermolecular interactions in these mixtures and the magnitude of [BMIM][PF₆]-alkyl acetate interactions followed the order: ethyl acetate &gt; propyl acetate &gt; <em>n</em>-butyl acetate, <em>i.e.</em>, the interactions were found dependent on the size of alkyl group of acetates. The speeds of sound were estimated theoretically using scaled particle theory and compared with experimental findings. FT-IR spectra of pure [BMIM][PF₆], ethyl acetate, propyl acetate. <em>n</em>-butyl acetate and their equimolar mixtures were also recorded and analysed for better understanding of prevailing intermolecular interaction.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"198 ","pages":"Article 107339"},"PeriodicalIF":2.2,"publicationDate":"2024-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141506261","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}

{"title":"Experimental speed of sound in two emerging mixture working fluids of [R1234ze(Z) + R1233zd(E)] and [R1234ze(Z) + isobutane]","authors":"Xiayao Peng,&nbsp;Ying Tan,&nbsp;Zhen Yang,&nbsp;Yuanyuan Duan","doi":"10.1016/j.jct.2024.107340","DOIUrl":"10.1016/j.jct.2024.107340","url":null,"abstract":"<div><p>There is a continuous demand for accurate data on the thermodynamic properties of environmentally friendly working fluids, specifically hydrofluoroalkenes (HFO) and hydrocarbons (HC). For two emerging binary mixture fluids in organic Rankine cycle and heat pump, [R1234ze(Z) (or named <em>cis</em>-1,3,3,3-tetrafluoropropene) + R1233zd(E) (or named <em>trans</em>-1-chloro-3,3,3-trifluoro-1-propene)] and [R1234ze(Z) + isobutane], the speed of sound was experimentally obtained at pressure between 40 and 960<!--> <!-->kPa and temperature interval of 300 to 370 <!--> <!-->K. The experimental instruments of the fixed-path acoustic resonance method have been re-calibrated and repaired to confirm the experimental precision, and the relative combined expanded uncertainty (<em>k =</em> 2) of the speed of sound is less than 0.038 %. Due to the signal peak overlapping in gas chromatography, the molar fractions are instead calculated by the experimental data using the thermodynamic rules, with the absolute combined expanded uncertainty (<em>k =</em> 2) of 0.0027 and 0.0008 for R1234ze(Z) + R1233zd(E) and R1234ze(Z) + isobutane, respectively. Acoustic virial coefficients were derived according to the truncated acoustic virial equation using the experimental data of this and previous work. The obtained data were compared with themselves to confirm the basic reliability. The experimental data were also compared with the reference values calculated by the state of art of thermodynamic models and a maximum deviation was found up to 20 times the experimental uncertainty, proposing needs and references for new dedicated mixing models.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"198 ","pages":"Article 107340"},"PeriodicalIF":2.2,"publicationDate":"2024-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141520929","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}

{"title":"Heat capacity study of fatty acids as phase change materials for thermal energy storage","authors":"Zhuoxue Xie ,&nbsp;Huimin Yan ,&nbsp;Henan Dai ,&nbsp;Yan Kou ,&nbsp;Xuemei Yan ,&nbsp;Ying Tian ,&nbsp;Quan Shi","doi":"10.1016/j.jct.2024.107338","DOIUrl":"https://doi.org/10.1016/j.jct.2024.107338","url":null,"abstract":"<div><p>Fatty acids are commonly used as phase change materials (PCMs) for thermal energy storage due to their high latent heat, non-toxicity, and biocompatibility. However, the thermodynamic properties of fatty acids have not been systematically studied, especially for their heat capacity data over a wide temperature range. This limitation greatly restricts their practical applications in designing and constructing fatty acids based PCMs and corresponding thermal management techniques. Herein, the heat capacities of a series of fatty acids (octanoic acid, decanoic acid, dodecanoic acid, tetradecanoic acid, hexadecanoic acid, and octadecanoic acid) have been measured using a combined relaxation, adiabatic, and differential scanning calorimetry techniques over a temperature range from 1.9 K to 380 K. The corresponding thermodynamic functions and phase transition thermodynamic parameters have been calculated based on heat capacity data fitting. Additionally, the thermal stability and thermal conductivity of these fatty acids have also been determined using a thermogravimetric analysis instrument and a thermal constant analyzer, respectively. These obtained thermodynamic properties can provide crucial fundamental information for the study and application of fatty acid PCMs and related thermal energy storage techniques.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"197 ","pages":"Article 107338"},"PeriodicalIF":2.2,"publicationDate":"2024-06-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141438290","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}

{"title":"Experimental and theoretical studies to investigate molecular interactions between ethylene glycol oligomers and 1-butyl-3-methylimidazolium bromide","authors":"Pooja Rani,&nbsp;Pooja Devi,&nbsp;Jyoti Kataria","doi":"10.1016/j.jct.2024.107336","DOIUrl":"10.1016/j.jct.2024.107336","url":null,"abstract":"&lt;div&gt;&lt;p&gt;The thermophysical characteristics of pure liquids and their mixes are substantial in applied as well as theoretical research. This paper presents the measured data on: density (&lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;ρ&lt;/mi&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;), viscosity &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mo&gt;(&lt;/mo&gt;&lt;mi&gt;η&lt;/mi&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;, refractive index (&lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mi&gt;n&lt;/mi&gt;&lt;mi&gt;D&lt;/mi&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;) and consequent calculated parameters: {excess molar volume (&lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msubsup&gt;&lt;mi&gt;V&lt;/mi&gt;&lt;mi&gt;m&lt;/mi&gt;&lt;mi&gt;E&lt;/mi&gt;&lt;/msubsup&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;), partial molar volume (&lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mover&gt;&lt;mrow&gt;&lt;mi&gt;V&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mo&gt;¯&lt;/mo&gt;&lt;/mrow&gt;&lt;/mover&gt;&lt;mi&gt;m&lt;/mi&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;), excess partial molar volume (&lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msubsup&gt;&lt;mover&gt;&lt;mrow&gt;&lt;mi&gt;V&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mo&gt;¯&lt;/mo&gt;&lt;/mrow&gt;&lt;/mover&gt;&lt;mi&gt;m&lt;/mi&gt;&lt;mi&gt;E&lt;/mi&gt;&lt;/msubsup&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;), deviation in viscosity &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mo&gt;(&lt;/mo&gt;&lt;mi&gt;Δ&lt;/mi&gt;&lt;mi&gt;η&lt;/mi&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;, excess Gibbs energy of activation of viscous flow (&lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;Δ&lt;/mi&gt;&lt;msup&gt;&lt;mi&gt;G&lt;/mi&gt;&lt;mrow&gt;&lt;mo&gt;∗&lt;/mo&gt;&lt;mi&gt;E&lt;/mi&gt;&lt;/mrow&gt;&lt;/msup&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;), deviation in refractive index (&lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mi&gt;Δ&lt;/mi&gt;&lt;mi&gt;ϕ&lt;/mi&gt;&lt;/msub&gt;&lt;msub&gt;&lt;mi&gt;n&lt;/mi&gt;&lt;mi&gt;D&lt;/mi&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;) and deviation in molar refraction (&lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mi&gt;Δ&lt;/mi&gt;&lt;mi&gt;x&lt;/mi&gt;&lt;/msub&gt;&lt;msub&gt;&lt;mi&gt;R&lt;/mi&gt;&lt;mi&gt;M&lt;/mi&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;)} of binaries containing 1-butyl-3-methylimidazolium bromide ([BMIM]Br) with glycol oligomers (mono/di/tri/tetra-ethylene glycol) at T/K = 298.15–313.15 and pressure &lt;em&gt;p&lt;/em&gt;/MPa = 0.1. The Redlich-Kister equation efficiently estimates the standard deviation between the experimental and calculated excess properties. The interactions between constituents were considered while interpreting the obtained results. The values of &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msubsup&gt;&lt;mi&gt;V&lt;/mi&gt;&lt;mi&gt;m&lt;/mi&gt;&lt;mi&gt;E&lt;/mi&gt;&lt;/msubsup&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;, &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msubsup&gt;&lt;mover&gt;&lt;mrow&gt;&lt;mi&gt;V&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mo&gt;¯&lt;/mo&gt;&lt;/mrow&gt;&lt;/mover&gt;&lt;mi&gt;m&lt;/mi&gt;&lt;mi&gt;E&lt;/mi&gt;&lt;/msubsup&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;, &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;Δ&lt;/mi&gt;&lt;mi&gt;η&lt;/mi&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;, &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mi&gt;Δ&lt;/mi&gt;&lt;mi&gt;ϕ&lt;/mi&gt;&lt;/msub&gt;&lt;msub&gt;&lt;mi&gt;n&lt;/mi&gt;&lt;mi&gt;D&lt;/mi&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; and &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mi&gt;Δ&lt;/mi&gt;&lt;mi&gt;x&lt;/mi&gt;&lt;/msub&gt;&lt;msub&gt;&lt;mi&gt;R&lt;/mi&gt;&lt;mi&gt;M&lt;/mi&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; exhibited negative trends throughout the range, whereas &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;Δ&lt;/mi&gt;&lt;msup&gt;&lt;mi&gt;G&lt;/mi&gt;&lt;mrow&gt;&lt;mo&gt;∗&lt;/mo&gt;&lt;mi&gt;E&lt;/mi&gt;&lt;/mrow&gt;&lt;/msup&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; values displayed a sigmoidal shift (negative to positive) with increasing [BMIM]Br concentration. The &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msubsup&gt;&lt;mi&gt;V&lt;/mi&gt;&lt;mi&gt;m&lt;/mi&gt;&lt;mi&gt;E&lt;/mi&gt;&lt;/msubsup&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; data has been explored in terms of Prigogine-Flory-Patterson (PFP) and Graph theories to elucidate the deviations in thermophysical properties of the mixtures caused by variations in strength and magnitude of interactions. Additionally, the &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;η&lt;/mi&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/sp","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"197 ","pages":"Article 107336"},"PeriodicalIF":2.6,"publicationDate":"2024-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141390348","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}