Calculation of phase equilibrium for water+carbon dioxide system using nonrandom lattice fluid equation of state

Abstract

For the geological sequestration of carbon dioxide to prevent global warming, the phase equilibrium data for water and carbon dioxide mixture play an important role in process design and operation. In this work, the nonrandom lattice fluid equation of state with hydrogen bonding (NLF-HB EOS) was applied for the prediction of phase equilibrium of mixtures containing water and carbon dioxide. A new set of pure component parameters for carbon dioxide above critical condition was found and optimum binary interaction parameters were reported to correlate mutual solubility of mixtures. The calculated results were compared with the Peng-Robinson Equation of State with the conventional mixing rule (PR-EOS) and the Wong-Sandler mixing rule (PR-WS-EOS). The calculation results show that NLF-HB EOS can correlate mutual solubility of water+carbon dioxide mixtures with reasonable accuracy within a single theoretical framework.

Properties of Mixtures with Water

“…In this region, the mutual solubility of CO 2 and H 2 O is first increasing and then again decreasing, widening the miscibility gap. The solubility of carbon dioxide in water is listed in Table 3.24 using data from various sources [97,98,[100][101][102][103]. x CO2 (mol/mol) P (MPa)…”

Corrosion of pipelines used for CO2 transport in CCS: Is it a real problem?

“…King et al (1992) also provided an estimation of how much molecular H 2 CO 3 may result from the hydration of CO 2 (0.32% of CO 2 concentration). Numerous researchers (Akinfiev and Diamond, 2010;Austegard et al, 2006;Ayello et al, 2010;Bermejo et al, 2005;Bruusgaard et al, 2010;Chapoy et al, 2004;Fu et al, 2009;Glezakou et al, 2010;Jacquemet et al, 2009;Koglbauer and Wendland, 2008;Kwon et al, 2010;Lachet et al, 2009;Lee et al, 2002;Li and Yan, 2009;Longhi, 2005;Pappa et al, 2009;Song et al, 1987) have since developed models or experimental data for the mutual solubility of water and CO 2 , and these have been reviewed by Spycher et al (2003) and more recently by Choi et al (2010). Their analyses indicated that the solubility of water goes through a sharp U-type curve (see Fig.…”

Measurement and correlation of solubility of water in carbon dioxide-rich phase

“…Carbon dioxide has slight polarity due to dipole moment and thermodynamic behavior dramatically changes depending on temperature, pressure and composition range in mixture with water. Kwon et al [14] calculated mutual solubility in carbon dioxide + water systems using three equation of state models: Peng-Robinson equation of state (PR EOS) [15], Peng-Robinson equation of state with Wong and Sandler mixing rules (PR-WS EOS) [16,17] and the nonrandom lattice fluid equation of state with hydrogen bonding (NLF-HB EOS) [18]. Even with advanced equations of state approaches it was still difficult to properly describe the complex behavior of such mixtures.…”