VLE measurements and modelling for binary systems of hydrogen or ethylene with methylcyclohexane

IF 4.4 3区 工程技术 Q2 CHEMISTRY, PHYSICAL
Wayne Michael Nelson , Latifa Negadi , Kuveneshan Moodley , Paramespri Naidoo
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Abstract

High-pressure vapour-liquid equilibrium data were measured for binary systems involving methylcyclohexane and hydrogen or ethylene. The data are critical for supporting thermodynamic models necessary for predicting thermodynamic properties required in the design of extraction, separation, reactor and fluid handling equipment. Measurements were performed using the analytical isothermal method at three temperatures (333.15, 348.15, and 368.15) K, and pressures up to 11 MPa. The phase compositions were determined via capillary sampling and gas chromatographic analysis. The expanded uncertainties in temperature and pressure were 0.09 K and 0.002 MPa, respectively. For phase composition, the average relative expanded uncertainties in the liquid and vapor phases were 5 % and 0.2 % for the hydrogen system, and 3 % and 0.3 % for the ethylene system. The data were regressed using the Peng–Robinson equation of state in combination with either the classical van der Waals or the Wong–Sandler mixing rule, the latter coupled with the NRTL activity coefficient model. The van der Waals mixing rule was applied to the hydrogen system, while both mixing rules were evaluated for the ethylene system. Mixture critical points were estimated using a scaling law approach. The experimental data for both systems were thermodynamically consistent according to the Valderrama-Alvarez area test. The model adequately represented the data, particularly when a single set of temperature-dependent binary interaction parameters was applied across the temperature range.
氢或乙烯与甲基环己烷二元体系的VLE测量和建模
测量了含甲基环己烷和氢或乙烯的二元体系的高压汽液平衡数据。这些数据对于支持预测萃取、分离、反应器和流体处理设备设计所需的热力学特性所需的热力学模型至关重要。在333.15、348.15和368.15 K三种温度下,压力高达11 MPa,采用分析等温法进行了测量。通过毛细管进样和气相色谱分析确定了样品的相组成。温度和压力的扩展不确定度分别为0.09 K和0.002 MPa。对于相组成,氢体系液相和气相的平均相对扩展不确定度分别为5 %和0.2 %,乙烯体系的平均相对扩展不确定度分别为3 %和0.3 %。使用Peng-Robinson状态方程结合经典范德华或Wong-Sandler混合规则(后者与NRTL活度系数模型耦合)对数据进行回归。在氢体系中应用了范德华混合规则,在乙烯体系中对两种混合规则进行了评价。采用标度法估计混合临界点。根据Valderrama-Alvarez区域试验,两种系统的实验数据在热力学上是一致的。该模型充分地表示了数据,特别是当在整个温度范围内应用一组温度相关的二元相互作用参数时。
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来源期刊
Journal of Supercritical Fluids
Journal of Supercritical Fluids 工程技术-工程:化工
CiteScore
7.60
自引率
10.30%
发文量
236
审稿时长
56 days
期刊介绍: The Journal of Supercritical Fluids is an international journal devoted to the fundamental and applied aspects of supercritical fluids and processes. Its aim is to provide a focused platform for academic and industrial researchers to report their findings and to have ready access to the advances in this rapidly growing field. Its coverage is multidisciplinary and includes both basic and applied topics. Thermodynamics and phase equilibria, reaction kinetics and rate processes, thermal and transport properties, and all topics related to processing such as separations (extraction, fractionation, purification, chromatography) nucleation and impregnation are within the scope. Accounts of specific engineering applications such as those encountered in food, fuel, natural products, minerals, pharmaceuticals and polymer industries are included. Topics related to high pressure equipment design, analytical techniques, sensors, and process control methodologies are also within the scope of the journal.
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