Padmanaban Radhakrishnan, Gayathri Ahobilam, Seema Kapoor, Gopalan Anantha Iyengar*, Dong-Eun Lee, Venkatramanan Kannan*, Vaithinathan Karthikeyan, Dani Samer Assi and Vellaisamy A. L. Roy,
{"title":"在298.15 ~ 318.15 K的摩尔组成和温度范围内,异丙烯+乙酸甲酯和异丙烯+乙酸乙酯二元混合物的热物理和声学性能的比较评价:实验测量和偏差模型的应用","authors":"Padmanaban Radhakrishnan, Gayathri Ahobilam, Seema Kapoor, Gopalan Anantha Iyengar*, Dong-Eun Lee, Venkatramanan Kannan*, Vaithinathan Karthikeyan, Dani Samer Assi and Vellaisamy A. L. Roy, ","doi":"10.1021/acs.jced.5c00053","DOIUrl":null,"url":null,"abstract":"<p >The viscosity (η), activation energy (<i>E</i><sub>a</sub>), density (ρ), ultrasonic velocity (<i>U</i>), and refractive index (<i>n</i><sup>D</sup>) were determined for binary liquid mixtures of cumene (CM, an alkylbenzene) with ethyl acetate (EA) or methyl acetate (MA) over different mole fractions of CM (0.08–0.87) in a wide temperature range (298.15–313.15 K). The increasing trend in η with the mole fraction of CM was correlated with the strengthening of the molecular interactions between the constituent components. Various theoretical models were utilized to predict the deviation in the properties of the binary mixtures over the compositions. Typically, the Kandoll and Monroe models predicted lower values for η, while models like Gruenberg and Nissan suggested higher values for the CM + MA binary mixture. Likewise, the usefulness of the models in predicting other properties is detailed. The average percentage of deviation (APD) was used to predict the most suitable model for η, <i>U</i>, and <i>n</i><sup>D</sup>. The various acoustical properties and excess parameters were calculated and interpreted in terms of charge transfer, dipole–dipole, and dipole-induced dipole interactions. The results suggested that the presence of both aryl and aliphatic moieties in CM contributed to the intermolecular interactions with nearly nonpolar (EA/MA) molecules.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 9","pages":"3491–3508"},"PeriodicalIF":2.1000,"publicationDate":"2025-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Comparative Evaluation of Thermophysical and Acoustical Properties of Binary Mixtures of Cumene + Methyl Acetate and Cumene + Ethyl Acetate over the Range of Molar Compositions and Temperatures from 298.15 to 318.15 K: Experimental Measurements and Application of Deviation Modeling\",\"authors\":\"Padmanaban Radhakrishnan, Gayathri Ahobilam, Seema Kapoor, Gopalan Anantha Iyengar*, Dong-Eun Lee, Venkatramanan Kannan*, Vaithinathan Karthikeyan, Dani Samer Assi and Vellaisamy A. L. Roy, \",\"doi\":\"10.1021/acs.jced.5c00053\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >The viscosity (η), activation energy (<i>E</i><sub>a</sub>), density (ρ), ultrasonic velocity (<i>U</i>), and refractive index (<i>n</i><sup>D</sup>) were determined for binary liquid mixtures of cumene (CM, an alkylbenzene) with ethyl acetate (EA) or methyl acetate (MA) over different mole fractions of CM (0.08–0.87) in a wide temperature range (298.15–313.15 K). The increasing trend in η with the mole fraction of CM was correlated with the strengthening of the molecular interactions between the constituent components. Various theoretical models were utilized to predict the deviation in the properties of the binary mixtures over the compositions. Typically, the Kandoll and Monroe models predicted lower values for η, while models like Gruenberg and Nissan suggested higher values for the CM + MA binary mixture. Likewise, the usefulness of the models in predicting other properties is detailed. The average percentage of deviation (APD) was used to predict the most suitable model for η, <i>U</i>, and <i>n</i><sup>D</sup>. The various acoustical properties and excess parameters were calculated and interpreted in terms of charge transfer, dipole–dipole, and dipole-induced dipole interactions. The results suggested that the presence of both aryl and aliphatic moieties in CM contributed to the intermolecular interactions with nearly nonpolar (EA/MA) molecules.</p>\",\"PeriodicalId\":42,\"journal\":{\"name\":\"Journal of Chemical & Engineering Data\",\"volume\":\"70 9\",\"pages\":\"3491–3508\"},\"PeriodicalIF\":2.1000,\"publicationDate\":\"2025-08-28\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Chemical & Engineering Data\",\"FirstCategoryId\":\"1\",\"ListUrlMain\":\"https://pubs.acs.org/doi/10.1021/acs.jced.5c00053\",\"RegionNum\":3,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical & Engineering Data","FirstCategoryId":"1","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acs.jced.5c00053","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Comparative Evaluation of Thermophysical and Acoustical Properties of Binary Mixtures of Cumene + Methyl Acetate and Cumene + Ethyl Acetate over the Range of Molar Compositions and Temperatures from 298.15 to 318.15 K: Experimental Measurements and Application of Deviation Modeling
The viscosity (η), activation energy (Ea), density (ρ), ultrasonic velocity (U), and refractive index (nD) were determined for binary liquid mixtures of cumene (CM, an alkylbenzene) with ethyl acetate (EA) or methyl acetate (MA) over different mole fractions of CM (0.08–0.87) in a wide temperature range (298.15–313.15 K). The increasing trend in η with the mole fraction of CM was correlated with the strengthening of the molecular interactions between the constituent components. Various theoretical models were utilized to predict the deviation in the properties of the binary mixtures over the compositions. Typically, the Kandoll and Monroe models predicted lower values for η, while models like Gruenberg and Nissan suggested higher values for the CM + MA binary mixture. Likewise, the usefulness of the models in predicting other properties is detailed. The average percentage of deviation (APD) was used to predict the most suitable model for η, U, and nD. The various acoustical properties and excess parameters were calculated and interpreted in terms of charge transfer, dipole–dipole, and dipole-induced dipole interactions. The results suggested that the presence of both aryl and aliphatic moieties in CM contributed to the intermolecular interactions with nearly nonpolar (EA/MA) molecules.
期刊介绍:
The Journal of Chemical & Engineering Data is a monthly journal devoted to the publication of data obtained from both experiment and computation, which are viewed as complementary. It is the only American Chemical Society journal primarily concerned with articles containing data on the phase behavior and the physical, thermodynamic, and transport properties of well-defined materials, including complex mixtures of known compositions. While environmental and biological samples are of interest, their compositions must be known and reproducible. As a result, adsorption on natural product materials does not generally fit within the scope of Journal of Chemical & Engineering Data.