Patrick S. Schmidt, Xiaohan Huang and Andreas P. Fröba*,
{"title":"利用阴影图法计算含烷烃和/或环烃类的二元液体混合物的菲克扩散系数和热扩散率","authors":"Patrick S. Schmidt, Xiaohan Huang and Andreas P. Fröba*, ","doi":"10.1021/acs.jced.4c0029010.1021/acs.jced.4c00290","DOIUrl":null,"url":null,"abstract":"<p >The present work reports Fick diffusion coefficients <i>D</i><sub>11</sub> and thermal diffusivities <i>a</i> of binary liquid mixtures containing <i>n</i>-heptane, 2,3-dimethylpentane, methylcyclohexane, toluene, <i>n</i>-decane, butylcyclohexane, butylbenzene, naphthalene, <i>cis</i>- or <i>trans</i>-decahydronaphthalene, 1,2,3,4-tetrahydronaphthalene, diphenylmethane, dicyclohexylmethane, ortho-benzyltoluene, or ortho-perhydrobenzyltoluene at equimolar composition determined by the shadowgraph method. Experiments were performed in the compressed liquid phase at temperatures <i>T</i> from (298 to 473) K and pressures <i>p</i> ≈ (0.1 to 1.4) MPa as well as at <i>p</i> from (0.1 to 30) MPa and <i>T</i> = 298 K or, studying a mixture of naphthalene and toluene, <i>T</i> = 373 K. <i>D</i><sub>11</sub> and <i>a</i> were determined with average expanded experimental uncertainties (<i>k</i> = 2) of (13 and 8.0)% and their relationships to the molecular characteristics of the mixture components were analyzed. For <i>D</i><sub>11</sub>, dependencies on the molar mass, viscosity, and molecular structures such as branching, alkane (side) chain length, stereoisomerism, and aromatic or aliphatic rings of the mixture components were identified. Regarding <i>a</i>, only influences related to stereoisomerism as well as diphenylmethane, ortho-benzyltoluene, and their hydrogenated species were found. Additionally, the <i>T</i>-dependent <i>D</i><sub>11</sub> and <i>a</i> data were compared to corresponding data from the literature.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"69 9","pages":"3001–3016 3001–3016"},"PeriodicalIF":2.0000,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Fick Diffusion Coefficients and Thermal Diffusivities in Binary Liquid Mixtures Containing Alkanes and/or Cyclic Hydrocarbons by Using the Shadowgraph Method\",\"authors\":\"Patrick S. Schmidt, Xiaohan Huang and Andreas P. Fröba*, \",\"doi\":\"10.1021/acs.jced.4c0029010.1021/acs.jced.4c00290\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >The present work reports Fick diffusion coefficients <i>D</i><sub>11</sub> and thermal diffusivities <i>a</i> of binary liquid mixtures containing <i>n</i>-heptane, 2,3-dimethylpentane, methylcyclohexane, toluene, <i>n</i>-decane, butylcyclohexane, butylbenzene, naphthalene, <i>cis</i>- or <i>trans</i>-decahydronaphthalene, 1,2,3,4-tetrahydronaphthalene, diphenylmethane, dicyclohexylmethane, ortho-benzyltoluene, or ortho-perhydrobenzyltoluene at equimolar composition determined by the shadowgraph method. Experiments were performed in the compressed liquid phase at temperatures <i>T</i> from (298 to 473) K and pressures <i>p</i> ≈ (0.1 to 1.4) MPa as well as at <i>p</i> from (0.1 to 30) MPa and <i>T</i> = 298 K or, studying a mixture of naphthalene and toluene, <i>T</i> = 373 K. <i>D</i><sub>11</sub> and <i>a</i> were determined with average expanded experimental uncertainties (<i>k</i> = 2) of (13 and 8.0)% and their relationships to the molecular characteristics of the mixture components were analyzed. For <i>D</i><sub>11</sub>, dependencies on the molar mass, viscosity, and molecular structures such as branching, alkane (side) chain length, stereoisomerism, and aromatic or aliphatic rings of the mixture components were identified. Regarding <i>a</i>, only influences related to stereoisomerism as well as diphenylmethane, ortho-benzyltoluene, and their hydrogenated species were found. Additionally, the <i>T</i>-dependent <i>D</i><sub>11</sub> and <i>a</i> data were compared to corresponding data from the literature.</p>\",\"PeriodicalId\":42,\"journal\":{\"name\":\"Journal of Chemical & Engineering Data\",\"volume\":\"69 9\",\"pages\":\"3001–3016 3001–3016\"},\"PeriodicalIF\":2.0000,\"publicationDate\":\"2024-08-29\",\"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.4c00290\",\"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.4c00290","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}
引用次数: 0
摘要
本研究报告了含有正庚烷、2,3-二甲基戊烷、甲基环己烷、甲苯、正癸烷、丁基环己烷、丁基苯、正萘、顺式或反式十氢萘、1,2,3,4-四氢萘、二苯基甲烷、二环己基甲烷的二元液体混合物的菲克扩散系数 D11 和热扩散率 a、萘、顺式或反式十氢萘、1,2,3,4-四氢萘、二苯基甲烷、二环己基甲烷、邻苄基甲苯或邻过氢苄基甲苯,其等摩尔成分由阴影图法测定。实验在压缩液相中进行,温度 T 为 (298 至 473) K,压力 p ≈ (0.1 至 1.4) MPa,p 为 (0.1 至 30) MPa,T = 298 K,或者在研究萘和甲苯的混合物时,T = 373 K。D11 和 a 的平均扩大实验不确定度 (k = 2) 为 (13 和 8.0)%,并分析了它们与混合物组分分子特性的关系。对于 D11,确定了其与摩尔质量、粘度和分子结构(如混合物组分的分支、烷(侧)链长度、立体异构、芳香环或脂肪环)的关系。关于 a,只发现了与立体异构体以及二苯基甲烷、邻苄基甲苯及其氢化物有关的影响因素。此外,还将依赖于 T 的 D11 和 a 数据与文献中的相应数据进行了比较。
Fick Diffusion Coefficients and Thermal Diffusivities in Binary Liquid Mixtures Containing Alkanes and/or Cyclic Hydrocarbons by Using the Shadowgraph Method
The present work reports Fick diffusion coefficients D11 and thermal diffusivities a of binary liquid mixtures containing n-heptane, 2,3-dimethylpentane, methylcyclohexane, toluene, n-decane, butylcyclohexane, butylbenzene, naphthalene, cis- or trans-decahydronaphthalene, 1,2,3,4-tetrahydronaphthalene, diphenylmethane, dicyclohexylmethane, ortho-benzyltoluene, or ortho-perhydrobenzyltoluene at equimolar composition determined by the shadowgraph method. Experiments were performed in the compressed liquid phase at temperatures T from (298 to 473) K and pressures p ≈ (0.1 to 1.4) MPa as well as at p from (0.1 to 30) MPa and T = 298 K or, studying a mixture of naphthalene and toluene, T = 373 K. D11 and a were determined with average expanded experimental uncertainties (k = 2) of (13 and 8.0)% and their relationships to the molecular characteristics of the mixture components were analyzed. For D11, dependencies on the molar mass, viscosity, and molecular structures such as branching, alkane (side) chain length, stereoisomerism, and aromatic or aliphatic rings of the mixture components were identified. Regarding a, only influences related to stereoisomerism as well as diphenylmethane, ortho-benzyltoluene, and their hydrogenated species were found. Additionally, the T-dependent D11 and a data were compared to corresponding data from the literature.
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.