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Evaluation of Thermodynamic Models for Predicting Phase Equilibria of \(\hbox {CO}_{2}\) + Impurity Binary Mixture

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Abstract

For the design and operation of \(\hbox {CO}_{2}\) capture and storage (CCS) processes, equation of state (EoS) models are used for phase equilibrium calculations. Reliability of an EoS model plays a crucial role, and many variations of EoS models have been reported and continue to be published. The prediction of phase equilibria for \(\hbox {CO}_{2}\) mixtures containing \(\hbox {SO}_{2}\), \(\hbox {N}_{2}\), NO, \(\hbox {H}_{2}\), \(\hbox {O}_{2}\), \(\hbox {CH}_{4}\), \(\hbox {H}_{2}\mathrm{S}\), Ar, and \(\hbox {H}_{2}\mathrm{O}\) is important for \(\hbox {CO}_{2}\) transportation because the captured gas normally contains small amounts of impurities even though it is purified in advance. For the design of pipelines in deep sea or arctic conditions, flow assurance and safety are considered priority issues, and highly reliable calculations are required. In this work, predictive Soave–Redlich–Kwong, cubic plus association, Groupe Européen de Recherches Gazières (GERG-2008), perturbed-chain statistical associating fluid theory, and non-random lattice fluids hydrogen bond EoS models were compared regarding performance in calculating phase equilibria of \(\hbox {CO}_{2}\)-impurity binary mixtures and with the collected literature data. No single EoS could cover the entire range of systems considered in this study. Weaknesses and strong points of each EoS model were analyzed, and recommendations are given as guidelines for safe design and operation of CCS processes.

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Acknowledgements

This research was supported by Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Science, ICT & Future Planning (No. 2014R1A5A1009799). This work was also supported by the Technology Innovation Program (10045068, development of flow assurance and organic acid/calcium removal process for the production of offshore opportunity crude) funded by the Ministry of Trade, Industry and Energy (MI, Korea). This work was also supported by the New and Renewable Energy Core Technology Program of the Korea Institute of Energy Technology Evaluation and Planning (KETEP), granted financial resource from the Ministry of Trade, Industry and Energy, Republic of Korea (No. 20153030041030).

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Authors and Affiliations

  1. Department of Chemical and Biological Engineering, Korea University, 145, Anam-ro, Seongbuk-gu, Seoul, 136-701, Republic of Korea

    Byeong Soo Shin, Won Gu Rho, Jeong Won Kang & Chul Soo Lee

  2. School of Energy, Material and Chemical Engineering, Korea University of Technology and Education, 1600 Chungjeol-ro, Byeongcheno-myun, Dongnam-gu, Cheonan, 31253, Republic of Korea

    Seong-Sik You

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  1. Byeong Soo Shin
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Correspondence to Jeong Won Kang.

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Special Issue: Advances in Thermophysical Properties.

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Shin, B.S., Rho, W.G., You, SS. et al. Evaluation of Thermodynamic Models for Predicting Phase Equilibria of \(\hbox {CO}_{2}\) + Impurity Binary Mixture. Int J Thermophys 39, 44 (2018). https://doi.org/10.1007/s10765-018-2364-5

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