resumo
Although the CPA EoS was initially developed 20 years ago to meet industrial solicitations, namely the need to describe mixtures of hydrocarbons and water, including the formation and dissociation of hydrates, it has only recently received a widespread use in mid-stream and downstream oil and gas processing, or in the petrochemical and chemical industries. one of the reasons for such limited use of the model in the industry is the necessity to parameterize every associating component from saturation data. This involves access to pure component databases and some advanced knowledge in therniodynamics and numerical methods, which are often behind the scope of process design engineers. This work revisits the CPA model, evaluating its strengths and weaknesses and attempting at identifying some opportunities for improvement. Using n-alkanols from Cl to C10 and their mixtures with other n-alkanols and n-alkanes, it investigates the description of the pure component critical points, saturated liquid densities as a function of temperature and some secorld-order derivative properties. It also explores new methodologies to regress the CPA parameters in a more systematic way, making it easier to generate parameters with less intervention from the user. (C) 2017 Elsevier B.V. All rights reserved.
palavras-chave
EQUATION-OF-STATE; DIRECTIONAL ATTRACTIVE FORCES; LIQUID-LIQUID EQUILIBRIA; CROSS-ASSOCIATING SYSTEMS; PHASE-EQUILIBRIA; VOLUME TRANSLATION; PHENOLIC-COMPOUNDS; COMPLEX-MIXTURES; HEAT-CAPACITY; FLUIDS
categoria
Thermodynamics; Chemistry; Engineering
autores
Palma, AM; Oliveira, MB; Queimada, AJ; Coutinho, JAP
nossos autores
André Palma
Bolseiro de pós-Doutoramento
Mariana Belo Oliveira
Bolseiro de pós-Doutoramentoagradecimentos
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 Infochem-KBC for his PhD grant. Tony Moorwood is acknowledged for mentoring this project and providing helpful insights. 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 co-financed by FEDER under the PT2020 Partnership Agreement.