甘油与苯胺、吡啶和哌啶在 293.15 K 至 323.15 K 温度范围和大气压力下的混合行为研究

IF 2.5 4区 工程技术 Q3 CHEMISTRY, PHYSICAL International Journal of Thermophysics Pub Date : 2024-11-06 DOI:10.1007/s10765-024-03450-z
Fisnik Aliaj, Arbër Zeqiraj, Arbër Musliu, Ariel Hernández
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引用次数: 0

摘要

报告了甘油 + 苯胺、甘油 + 吡啶和甘油 + 哌啶混合物在温度(293.15、303.15、313.15 和 323.15)K 和大气压力下的实验密度和声速,涵盖了整个组成范围。过量摩尔体积和过量等熵压缩率是根据实验数据得出的,并使用 Redlich-Kister 多项式进行关联,以检验实验数据的质量。可以通过考虑胺的分子结构和氢键能力的差异来解释过量特性。本研究利用 Jouyban-Acree (J-A) 模型来捕捉混合物特性(密度、声速及其相关特性、等压热膨胀率和等熵压缩性)的组成和温度依赖性。在密度、声速、等压热膨胀率和等熵压缩率方面,相关值与实验值的平均绝对百分比偏差分别优于 0.05 %、0.011 %、0.025 % 和 0.023 %,这证明 J-A 模型在预测不同条件下的混合行为方面具有稳健性。扰动链统计关联流体理论状态方程(PC-SAFT EoS)被用于使用预测方法建立混合物密度模型。比较了 Schaaff 碰撞因子理论(SCFT)和 Nomoto 关系(NR)对二元混合物声速建模的能力。建模密度与实验数据显示出良好的一致性。在当前混合物的声速建模方面,NR 优于 SCFT。之前的模型(SCFT 和 NR)与 PC-SAFT 相耦合,因为它们需要输入液体密度数据。
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A Study on the Mixing Behavior of Glycerol with Aniline, Pyridine, and Piperidine over the Temperature Range 293.15 K to 323.15 K and Atmospheric Pressure

Experimental densities and sound speeds at temperatures (293.15, 303.15, 313.15, and 323.15) K and under atmospheric pressure are reported for glycerol + aniline, glycerol + pyridine, and glycerol + piperidine mixtures covering the entire composition ranges. Excess molar volumes and excess isentropic compressibilities were derived from experimental data and correlated using Redlich–Kister polynomial to test the quality of experimental data. Excess properties could be interpreted by considering the differences in molecular structure and hydrogen bonding capacity of the amines. This study utilized the Jouyban–Acree (J–A) model to capture both the compositional and temperature dependencies of mixture properties (density, sound speed, and their related properties, isobaric thermal expansivity, and isentropic compressibility). The average absolute percentage deviation of the correlated values from the experimental ones was better than 0.05 %, 0.011 %, 0.025 %, and 0.023 % for density, sound speed, isobaric thermal expansivity, and isentropic compressibility, respectively, attesting to the robustness of the J–A model to predict mixing behavior under varying conditions. The Perturbed Chain Statistical Associating Fluid Theory Equation of State (PC-SAFT EoS) was used to model the densities of the mixtures using a predictive approach. Schaaff's Collision Factor Theory (SCFT) and Nomoto's Relation (NR) were compared for their ability to model the speed of sound for the binary mixtures. The modeled densities showed good agreement with experimental data. NR outperformed SCFT in modeling speed of sound of current mixtures. The previous models (SCFT and NR) were coupled with PC-SAFT, because they require the input of liquid density data.

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来源期刊
CiteScore
4.10
自引率
9.10%
发文量
179
审稿时长
5 months
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.
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