Physicochemical properties, theoretical modelling and molecular interaction analysis in ternary liquid mixtures containing 1-propanol, 1,3-diaminopropane and ethyl acetate at temperature 298.15–318.15 K

IF 2.2 3区 工程技术 Q3 CHEMISTRY, PHYSICAL Journal of Chemical Thermodynamics Pub Date : 2024-01-21 DOI:10.1016/j.jct.2024.107262
Deepak Parmar , Manju Rani , Naveen Kumar , Noureddine Issaoui , Omar M. Al-Dossary , Mustapha Sahal , Seetu Rana , Leda G. Bousiakoug
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Abstract

In the present report, density (ρ), viscosity (η), speed of sound (u) and refractive index (nD) of ternary liquid mixture containing 1-propanol (1P) (1) + 1,3-diaminopropane (1,3-DAP) (2) + ethyl acetate (EAc) (3) were measured at five different temperatures (T = 298.15 to 318.15 K) and at 0.1 MPa pressure. Data of ρ, η, u and nD were used to compute the excess molar volume, VmE, deviation in viscosity, Δη, deviation in ultrasonic speed, Δu, excess isentropic compressibility, ksE, excess free volume, VfE, excess intermolecular free length, LfE, excess available volume, VaE, and deviation in refractive index, ΔnD, and these computed physicochemical properties were fitted to Singh equation. The VmE data were fitted to the Nagata and Cibulka equations. Further, Kohler model, Tsao-Smith model, Radojkovic model, Jacob-Fitzner model and Rastogi model were used to calculate the VmE values. The speed of sound data was analyzed by various correlations such as Van Dael, Nomato, Impedance dependence, Schaaff’s collision factor theory (CFT) and Jacobson’s free length theory (JFLT). Various correlations like Heller, Arago-Biot, Lorentz-Lorenz, Erying, Newton, Gladstone-Dale, and Weiner were used to correlate nD data.

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含有 1-丙醇、1,3-二氨基丙烷和乙酸乙酯的三元液体混合物在 298.15-318.15 K 温度下的物理化学特性、理论建模和分子相互作用分析
本报告在五个不同温度(T = 298.15 至 318.15 K)和 0.1 MPa 压力下测量了含有 1-丙醇 (1P) (1) + 1,3- 二氨基丙烷 (1,3-DAP) (2) + 乙酸乙酯 (EAc) (3) 的三元液体混合物的密度 (ρ)、粘度 (η)、声速 (u) 和折射率 (nD)。利用 ρ、η、u 和 nD 数据计算了过量摩尔体积 VmE、粘度偏差 Δη、超声波速度偏差 Δu、过量等熵压缩率 ksE、过量自由体积 VfE、过量分子间自由长度 LfE、过量可用体积 VaE 和折射率偏差 ΔnD,并将这些计算出的理化性质与辛格方程进行了拟合。VmE 数据与 Nagata 和 Cibulka 方程进行了拟合。此外,还使用了 Kohler 模型、Tsao-Smith 模型、Radojkovic 模型、Jacob-Fitzner 模型和 Rastogi 模型来计算 VmE 值。声速数据通过各种相关性进行分析,如 Van Dael、Nomato、阻抗依赖性、Schaaff 碰撞因子理论(CFT)和 Jacobson 自由长度理论(JFLT)。海勒、阿拉戈-比奥特、洛伦兹-洛伦兹、埃林、牛顿、格拉德斯通-戴尔和韦纳等各种相关性被用来对 nD 数据进行相关分析。
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来源期刊
Journal of Chemical Thermodynamics
Journal of Chemical Thermodynamics 工程技术-热力学
CiteScore
5.60
自引率
15.40%
发文量
199
审稿时长
79 days
期刊介绍: The Journal of Chemical Thermodynamics exists primarily for dissemination of significant new knowledge in experimental equilibrium thermodynamics and transport properties of chemical systems. The defining attributes of The Journal are the quality and relevance of the papers published. The Journal publishes work relating to gases, liquids, solids, polymers, mixtures, solutions and interfaces. Studies on systems with variability, such as biological or bio-based materials, gas hydrates, among others, will also be considered provided these are well characterized and reproducible where possible. Experimental methods should be described in sufficient detail to allow critical assessment of the accuracy claimed. Authors are encouraged to provide physical or chemical interpretations of the results. Articles can contain modelling sections providing representations of data or molecular insights into the properties or transformations studied. Theoretical papers on chemical thermodynamics using molecular theory or modelling are also considered. The Journal welcomes review articles in the field of chemical thermodynamics but prospective authors should first consult one of the Editors concerning the suitability of the proposed review. Contributions of a routine nature or reporting on uncharacterised materials are not accepted.
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