Transport Property Predictions for CH4/H2/CO/CO2/N2/H2O Mixtures Based on Excluded Volume Without Fitting Parameters

IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL International Journal of Thermophysics Pub Date : 2025-02-01 DOI:10.1007/s10765-024-03482-5
Ali Aminian
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Abstract

The knowledge of viscosity and thermal conductivity of molecular fluids in the dense phase, which could also accommodate mixture properties, are of great importance in chemical, aerospace, and syngas technology. In this study, we tend to offer a formulation that only needs “excluded volume” to calculate the transport properties for polyatomic fluids and fluid mixtures. The formulations allow calculation of transport properties over a wide range of temperature, pressure, and composition including the supercritical region. Based on the Chapman–Enskog equations, the low-density properties were taken to be corrected for the dense fluid region in which it has been proposed an excluded volume term whose value can be calculated using an equation of state, e.g., the Statistical Association Fluid Theory (SAFT) Equation of State (EoS). The models were tested for different mixtures comprising CH4/H2/CO/CO2/N2/H2O molecules to calculate their transport properties over the entire fluid phase region. Furthermore, comparisons were made between the predicted values and existing experimental data or extended corresponding–states of law equation for mixtures.

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基于未拟合参数排除体积的CH4/H2/CO/CO2/N2/H2O混合物输运性质预测
致密相分子流体的粘度和热导率(也可以适应混合物的性质)的知识在化学、航空航天和合成气技术中具有重要意义。在本研究中,我们倾向于提供一个只需要“排除体积”的公式来计算多原子流体和流体混合物的输运性质。该公式允许在广泛的温度、压力和成分范围内(包括超临界区域)计算输运性质。在Chapman-Enskog方程的基础上,对致密流体区域的低密度特性进行了修正,其中提出了一个排除的体积项,其值可以使用状态方程计算,例如统计关联流体理论(SAFT)状态方程(EoS)。在不同的CH4/H2/CO/CO2/N2/H2O分子混合物中测试了这些模型,以计算它们在整个流体相区域的输运性质。并将预测值与已有的实验数据或扩展的混合物律方程对应态进行了比较。
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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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