PρT measurements of 3-aminopropan-1-ol and N-(2-hydroxyethyl)morpholine from (293.15 to 473.15) K and up to 40 MPa and modeling with modified Tait and PC-SAFT equations

IF 2.8 3区 工程技术 Q3 CHEMISTRY, PHYSICAL Fluid Phase Equilibria Pub Date : 2024-05-23 DOI:10.1016/j.fluid.2024.114141
Zohre Mokhtari, Masoume Najafi, Hosseinali Zarei
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Abstract

New density data has been reported for 3-aminopropan-1-ol (AP) and N-(2-hydroxyethyl)morpholine (NHEM) at temperatures ranging from (293.15–473.15) K at 19 pressures ranging from (0.1–40) MPa. The experimental measurements were carried out using an Anton Paar high-pressure vibrating tube densimeter with a combined expanded uncertainty of 1 kg m−3 at a 95 % confidence level. Contributions considered in the uncertainty analysis included the impurities in the materials used and apparatus specification. In addition, the density and speed of sound at ambient pressure (81.5 kPa) and temperatures (293.15–343.15) K were measured. The experimental density data were correlated with the modified Tait equation. Values of thermal expansion coefficient (αP ) and isothermal compressibility (κT) were calculated. The work is completed with the modeling of the experimental data using the perturbed-chain statistical associating fluid theory equation of state (PC-SAFT EOS). The parameters of the PC-SAFT equation of state, for the pure compounds, were determined by fitting the equation to the liquid PρT experimental data. Thermodynamic properties such as thermal expansion coefficient (αP), isothermal compressibility (κT), isobaric heat capacity (CP), and speed of sound (u) were calculated with the obtain parameters. Good agreement between experimental data and derived properties represented the modeling accuracy with the obtained parameters.

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3-aminopropan-1-ol 和 N-(2-羟乙基)吗啉在 (293.15 至 473.15) K 和高达 40 MPa 范围内的 PρT 测量值,以及使用修改后的 Tait 和 PC-SAFT 方程建模的结果
报告了 3-aminopropan-1-ol (AP) 和 N-(2-羟乙基)吗啉 (NHEM) 在 (293.15-473.15) K 温度和 (0.1-40) MPa 压力下的新密度数据。实验测量是使用安东帕高压振动管密度计进行的,在 95 % 的置信水平下,综合扩大不确定度为 1 kg m-3。不确定度分析中考虑的因素包括所用材料中的杂质和仪器规格。此外,还测量了在环境压力(81.5 kPa)和温度(293.15-343.15)K 下的密度和声速。实验密度数据与修正的泰特方程相关联。计算了热膨胀系数(αP)和等温可压缩性(κT)的值。最后,使用扰动链统计关联流体理论状态方程(PC-SAFT EOS)对实验数据进行建模。通过将 PC-SAFT 状态方程与液体 PρT 实验数据进行拟合,确定了纯化合物的 PC-SAFT 状态方程参数。热力学性质,如热膨胀系数 (αP)、等温可压缩性 (κT)、等压热容 (CP) 和声速 (u) 等,都是用获得的参数计算出来的。实验数据与推导出的属性之间的良好一致性代表了所获参数建模的准确性。
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来源期刊
Fluid Phase Equilibria
Fluid Phase Equilibria 工程技术-工程:化工
CiteScore
5.30
自引率
15.40%
发文量
223
审稿时长
53 days
期刊介绍: Fluid Phase Equilibria publishes high-quality papers dealing with experimental, theoretical, and applied research related to equilibrium and transport properties of fluids, solids, and interfaces. Subjects of interest include physical/phase and chemical equilibria; equilibrium and nonequilibrium thermophysical properties; fundamental thermodynamic relations; and stability. The systems central to the journal include pure substances and mixtures of organic and inorganic materials, including polymers, biochemicals, and surfactants with sufficient characterization of composition and purity for the results to be reproduced. Alloys are of interest only when thermodynamic studies are included, purely material studies will not be considered. In all cases, authors are expected to provide physical or chemical interpretations of the results. Experimental research can include measurements under all conditions of temperature, pressure, and composition, including critical and supercritical. Measurements are to be associated with systems and conditions of fundamental or applied interest, and may not be only a collection of routine data, such as physical property or solubility measurements at limited pressures and temperatures close to ambient, or surfactant studies focussed strictly on micellisation or micelle structure. Papers reporting common data must be accompanied by new physical insights and/or contemporary or new theory or techniques.
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