Solubility prediction of carbon dioxide in water by an iterative equation of state/excess Gibbs energy model

International Conference on Chemical and Bioprocess Engineering

地球科学;化学;生物科学

Suleman, H.^1 ; Maulud, A.S.^1 ; Man, Z.^1

Department of Chemical Engineering, Universiti Teknologi PETRONAS, Bandar Seri Iskandar, Perak

32610, Malaysia^1

关键词: Excess Gibbs energy;    Experimental values;    Linear combinations;    Peng-Robinson equation of state;    Pressure correction;    Solubility in waters;    Solubility prediction;    Thermodynamic model;   

Others  :  https://iopscience.iop.org/article/10.1088/1755-1315/36/1/012003/pdf
DOI  :  10.1088/1755-1315/36/1/012003

学科分类：生物科学（综合）

来源: IOP

【 摘 要 】

The solubility of carbon dioxide in water has been predicted extensively by various models, owing to their vast applications in process industry. Henry's law has been widely utilized for solubility prediction with good results at low pressure. However, the law shows large deviations at high pressure, even when adjusted to pressure correction and improved conditions. Contrarily, equations of state/excess Gibbs energy models are a promising addition to thermodynamic models for prediction at high pressure non-ideal equilibria. These models can efficiently predict solubilities at high pressures, even when the experimental solubilities are not corroborated. Hence, these models work iteratively, utilizing the mathematical redundancy of local composition excess Gibbs energy models. In this study, an iterative form of Linear Combination of Vidal and Michelsen (LCVM) mixing rule has been used for prediction of carbon dioxide solubility in water, in conjunction with UNIFAC and translated modified Peng- Robinson equation of state. The proposed model, termed iterative LCVM (i-LCVM), predicts carbon dioxide solubility in water for a wide range of temperature (273 to 453 K) and pressure (101.3 to 7380 kPa). The i-LCVM shows good agreement with experimental values and predicts better than Henry's law (53% improvement).