{"title":"不同温度下3-氨基-1-丙醇+二甲基乙酰胺+环己酮三元体系的体积、声学、光学性质和相互作用参数的实验与理论结合研究","authors":"Soheyl Vaali, Hossein Iloukhani, Khatereh Khanlarzadeh, Ariel Hernández","doi":"10.1007/s10765-025-03657-8","DOIUrl":null,"url":null,"abstract":"<div><p>The volumetric, optical, and acoustical properties of binary and ternary solutions of (3-amino-1-propanol + <i>N,N</i>-dimethylacetamide), (3-amino-1-propanol + cyclohexanone), (<i>N,N</i>-dimethylacetamide + cyclohexanone), and (3-amino-1-propanol + <i>N,N</i>-dimethylacetamide + cyclohexanone) were investigated in this study. Density (<i>ρ</i>), speed of sound (<i>u</i>), and refractive index (<span>\\({n}_{\\text{D}}\\)</span>) were measured across the entire composition range at 298.15, 303.15, 308.15, 313.15, 318.15, and 323.15 K at ambient pressure (81.5 kPa). Excess molar volume<span>\\({V}_{\\text{m}}^{\\text{E}}\\)</span>, excess partial molar volume <span>\\({\\overline{V} }_{i}^{E}\\)</span>, deviations in isentropic compressibility<span>\\({\\Delta k}_{\\text{s}}\\)</span>, or refractive index <span>\\({\\Delta n}_{\\text{D}},\\)</span> were also calculated. Binary mixtures of 3-amino-1-propanol + <i>N,N</i>-dimethylacetamide and <i>N,N</i>-dimethylacetamide + cyclohexanone showed positive <span>\\({V}_{\\text{m}}^{\\text{E}}\\)</span> and <span>\\({\\Delta k}_{\\text{s}}\\)</span> values, while 3-amino-1-propanol + cyclohexanone exhibited negative values. <span>\\({\\Delta n}_{\\text{D}}\\)</span> values were negative for 3-amino-1-propanol + <i>N,N</i>-dimethylacetamide and positive for the other two binary mixtures.<span>\\({V}_{\\text{m}}^{\\text{E}}\\)</span>,<span>\\({\\Delta k}_{\\text{s}}\\)</span>, and <span>\\({\\Delta n}_{\\text{D}}\\)</span> were correlated using the Redlich–Kister and Cibulka equations for binary and ternary mixtures, respectively. The Perturbed Chain Statistical Associating Fluid Theory (PC-SAFT) equation of state proved to be an effective tool for modeling the density of binary mixtures and ternary mixture. For modeling speed of sound as predictive approach in these mixtures, Schaaff’s Collision Factor Theory and Nomoto’s Relation were employed as theoretical models. Additionally, four mixing rules were successfully applied to predict the refractive index of the studied mixtures. These findings provide insights into intermolecular interactions, molecular size differences, and structural characteristics within the mixtures.</p></div>","PeriodicalId":598,"journal":{"name":"International Journal of Thermophysics","volume":"46 12","pages":""},"PeriodicalIF":2.9000,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"A Combined Experimental and Theoretical Investigation of Volumetric, Acoustical and Optical Properties and Interaction Parameters in the Ternary (3-Amino-1-Propanol + Dimethylacetamide + Cyclohexanone) and Its Sub-systems at Different Temperatures\",\"authors\":\"Soheyl Vaali, Hossein Iloukhani, Khatereh Khanlarzadeh, Ariel Hernández\",\"doi\":\"10.1007/s10765-025-03657-8\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The volumetric, optical, and acoustical properties of binary and ternary solutions of (3-amino-1-propanol + <i>N,N</i>-dimethylacetamide), (3-amino-1-propanol + cyclohexanone), (<i>N,N</i>-dimethylacetamide + cyclohexanone), and (3-amino-1-propanol + <i>N,N</i>-dimethylacetamide + cyclohexanone) were investigated in this study. Density (<i>ρ</i>), speed of sound (<i>u</i>), and refractive index (<span>\\\\({n}_{\\\\text{D}}\\\\)</span>) were measured across the entire composition range at 298.15, 303.15, 308.15, 313.15, 318.15, and 323.15 K at ambient pressure (81.5 kPa). Excess molar volume<span>\\\\({V}_{\\\\text{m}}^{\\\\text{E}}\\\\)</span>, excess partial molar volume <span>\\\\({\\\\overline{V} }_{i}^{E}\\\\)</span>, deviations in isentropic compressibility<span>\\\\({\\\\Delta k}_{\\\\text{s}}\\\\)</span>, or refractive index <span>\\\\({\\\\Delta n}_{\\\\text{D}},\\\\)</span> were also calculated. Binary mixtures of 3-amino-1-propanol + <i>N,N</i>-dimethylacetamide and <i>N,N</i>-dimethylacetamide + cyclohexanone showed positive <span>\\\\({V}_{\\\\text{m}}^{\\\\text{E}}\\\\)</span> and <span>\\\\({\\\\Delta k}_{\\\\text{s}}\\\\)</span> values, while 3-amino-1-propanol + cyclohexanone exhibited negative values. <span>\\\\({\\\\Delta n}_{\\\\text{D}}\\\\)</span> values were negative for 3-amino-1-propanol + <i>N,N</i>-dimethylacetamide and positive for the other two binary mixtures.<span>\\\\({V}_{\\\\text{m}}^{\\\\text{E}}\\\\)</span>,<span>\\\\({\\\\Delta k}_{\\\\text{s}}\\\\)</span>, and <span>\\\\({\\\\Delta n}_{\\\\text{D}}\\\\)</span> were correlated using the Redlich–Kister and Cibulka equations for binary and ternary mixtures, respectively. The Perturbed Chain Statistical Associating Fluid Theory (PC-SAFT) equation of state proved to be an effective tool for modeling the density of binary mixtures and ternary mixture. For modeling speed of sound as predictive approach in these mixtures, Schaaff’s Collision Factor Theory and Nomoto’s Relation were employed as theoretical models. Additionally, four mixing rules were successfully applied to predict the refractive index of the studied mixtures. These findings provide insights into intermolecular interactions, molecular size differences, and structural characteristics within the mixtures.</p></div>\",\"PeriodicalId\":598,\"journal\":{\"name\":\"International Journal of Thermophysics\",\"volume\":\"46 12\",\"pages\":\"\"},\"PeriodicalIF\":2.9000,\"publicationDate\":\"2025-10-06\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"International Journal of Thermophysics\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s10765-025-03657-8\",\"RegionNum\":4,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"International Journal of Thermophysics","FirstCategoryId":"5","ListUrlMain":"https://link.springer.com/article/10.1007/s10765-025-03657-8","RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
A Combined Experimental and Theoretical Investigation of Volumetric, Acoustical and Optical Properties and Interaction Parameters in the Ternary (3-Amino-1-Propanol + Dimethylacetamide + Cyclohexanone) and Its Sub-systems at Different Temperatures
The volumetric, optical, and acoustical properties of binary and ternary solutions of (3-amino-1-propanol + N,N-dimethylacetamide), (3-amino-1-propanol + cyclohexanone), (N,N-dimethylacetamide + cyclohexanone), and (3-amino-1-propanol + N,N-dimethylacetamide + cyclohexanone) were investigated in this study. Density (ρ), speed of sound (u), and refractive index (\({n}_{\text{D}}\)) were measured across the entire composition range at 298.15, 303.15, 308.15, 313.15, 318.15, and 323.15 K at ambient pressure (81.5 kPa). Excess molar volume\({V}_{\text{m}}^{\text{E}}\), excess partial molar volume \({\overline{V} }_{i}^{E}\), deviations in isentropic compressibility\({\Delta k}_{\text{s}}\), or refractive index \({\Delta n}_{\text{D}},\) were also calculated. Binary mixtures of 3-amino-1-propanol + N,N-dimethylacetamide and N,N-dimethylacetamide + cyclohexanone showed positive \({V}_{\text{m}}^{\text{E}}\) and \({\Delta k}_{\text{s}}\) values, while 3-amino-1-propanol + cyclohexanone exhibited negative values. \({\Delta n}_{\text{D}}\) values were negative for 3-amino-1-propanol + N,N-dimethylacetamide and positive for the other two binary mixtures.\({V}_{\text{m}}^{\text{E}}\),\({\Delta k}_{\text{s}}\), and \({\Delta n}_{\text{D}}\) were correlated using the Redlich–Kister and Cibulka equations for binary and ternary mixtures, respectively. The Perturbed Chain Statistical Associating Fluid Theory (PC-SAFT) equation of state proved to be an effective tool for modeling the density of binary mixtures and ternary mixture. For modeling speed of sound as predictive approach in these mixtures, Schaaff’s Collision Factor Theory and Nomoto’s Relation were employed as theoretical models. Additionally, four mixing rules were successfully applied to predict the refractive index of the studied mixtures. These findings provide insights into intermolecular interactions, molecular size differences, and structural characteristics within the mixtures.
期刊介绍:
International Journal of Thermophysics serves as an international medium for the publication of papers in thermophysics, assisting both generators and users of thermophysical properties data. This distinguished journal publishes both experimental and theoretical papers on thermophysical properties of matter in the liquid, gaseous, and solid states (including soft matter, biofluids, and nano- and bio-materials), on instrumentation and techniques leading to their measurement, and on computer studies of model and related systems. Studies in all ranges of temperature, pressure, wavelength, and other relevant variables are included.