Calculation of thermophysical properties of syn gas at low pressures using an extended Morse potential

Document Type : Research Paper

Authors

1 Faculty of Chemistry, Urumia University

2 College of Sciences, The University of Tehran

3 Research Institute of Petroleum Industry (RIPI)

10.22078/pr.2025.5556.3468

Abstract

In this study, the intermolecular potential between H₂–H₂, CO–CO, and H₂–CO pairs was obtained using the direct inversion method, which entailed the analysis of experimental data on viscosity and the second virial coefficient. Subsequently, the obtained potential was fitted using a Morse-Spline-Van der Waals (MSV) stepwise model. Subsequently, the MSV model was employed to calculate a series of transport properties, including viscosity, diffusion coefficient, thermal diffusivity, and the second virial coefficient, for pure hydrogen, pure carbon monoxide, and hydrogen-carbon monoxide mixtures. A comparison of the calculated values with the reliable experimental data reveals that the MSV intermolecular potential, with an average relative percentage deviation of 0.61% for viscosity and 1.15% for the diffusion coefficient, is an excellent representation of the thermophysical properties of the aforementioned systems. The results were obtained with a high degree of accuracy, particularly in comparison to the methods based on the corresponding states laws of Chang (AAD% = 8.97), Lucas (AAD% = 2.87), and Supertrap (AAD% = 4.00). This article presents the numerical values of the thermophysical properties of pure hydrogen and carbon monoxide and their mixture as a function of temperature, with a particular focus on their practical and engineering applications.

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Journal of Petroleum Research
Volume 35, 1404-1 - Serial Number 140
Special Issue on the Development of the Hydrogen TechnologyChain
May and June 2025

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