abstract
One of the major challenges of an equation of state lies in the description of water and aqueous systems. Its abundance and unique properties turn water into one of the most important molecules in the industry. However, because of these peculiar characteristics, its modeling is far more complex than for any other common solvent. In this work, a modified cubic plus association (CPA) model, which includes the correct description of the pure component critical temperature and critical pressure, is expanded to water and its systems. A brief analysis of the predicted water purity properties is conducted, comparing those to a previous version of the model. Results for a group of binary systems, including liquid liquid equilibria with alkanes and alcohols, highlighting their minima in aqueous solubility, and gas solubility in water/water solubility in gas, are also presented. Finally, ternary and multicomponent systems of water + hydrocarbons and water + polar compound + hydrocarbons are also modeled and discussed.
keywords
VAPOR-LIQUID-EQUILIBRIA; SYSTEMS EXPERIMENTAL-MEASUREMENT; TEMPERATURE MUTUAL SOLUBILITIES; NORTH-SEA OILS; CARBON-DIOXIDE; HIGH-PRESSURE; CPA EOS; COMPLEX-MIXTURES; ETHYLENE-GLYCOL; HEAT-CAPACITIES
subject category
Engineering
authors
Palma, AM; Queimada, AJ; Coutinho, JAP
our authors
André Palma
Post-Doc Fellowship
acknowledgements
This work was funded by KBC Advanced Technologies Limited (a Yokogawa Company) under project "Extension of the CPA Model for Polyfunctional Associating Mixtures". Andre M. Palma acknowledges KBC for his Ph.D. grant. Tony Moorwood is acknowledged for mentoring this project and providing helpful insights. Mariana Belo Oliveira is acknowledge for her helpful insight in the first stages of this work. This work was developed within the scope of the project CICECO-Aveiro Institute of Materials, POCI-01-0145-FEDER-007679 (FCT ref. UID/CTM/50011/2013), financed by national funds through the FCT/MEC and when appropriate cofinanced by FEDER under the PT2020 Partnership Agreement.